2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene

C136H194 — CID 163674445

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CCCCc1ccccc1.C1=CC2CC1CC2CCCc1ccccc1.C1=CC2CC1CC2CCc1ccccc1.C1=CC2CC1CC2Cc1ccc2ccccc2c1.C1=CC2CC1CC2c1ccccc1.CCCCCCCCCCC1CC2C=CC1C2.CCCCCCCCCCCCC1CC2C=CC1C2.CCCCCCCCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C21H38.C19H34.C18H18.C17H22.C17H30.C16H20.C15H18.C13H14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-17-19-15-16-21(20)18-19;1-2-3-4-5-6-7-8-9-10-11-12-18-15-17-13-14-19(18)16-17;1-2-4-16-9-13(5-7-15(16)3-1)11-18-12-14-6-8-17(18)10-14;1-2-6-14(7-3-1)8-4-5-9-16-12-15-10-11-17(16)13-15;1-2-3-4-5-6-7-8-9-10-16-13-15-11-12-17(16)14-15;1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14;1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13;1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h15-16,19-21H,2-14,17-18H2,1H3;13-14,17-19H,2-12,15-16H2,1H3;1-9,14,17-18H,10-12H2;1-3,6-7,10-11,15-17H,4-5,8-9,12-13H2;11-12,15-17H,2-10,13-14H2,1H3;1-3,5-6,9-10,14-16H,4,7-8,11-12H2;1-5,7,9,13-15H,6,8,10-11H2;1-7,10,12-13H,8-9H2
InChIKeyJFKVLVYDZFLTDM-UHFFFAOYSA-N
MW1829.05 g/mol
LogP40.15
Rot. Bonds48

About 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene

2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene (PubChem CID 163674445) has the molecular formula C136H194 and a molecular weight of 1829.05 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene
PubChem CID163674445
Molecular FormulaC136H194
Molecular Weight1829.05 g/mol
Exact Mass1827.52
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CCCCc1ccccc1.C1=CC2CC1CC2CCCc1ccccc1.C1=CC2CC1CC2CCc1ccccc1.C1=CC2CC1CC2Cc1ccc2ccccc2c1.C1=CC2CC1CC2c1ccccc1.CCCCCCCCCCC1CC2C=CC1C2.CCCCCCCCCCCCC1CC2C=CC1C2.CCCCCCCCCCCCCCC1CC2C=CC1C2
InChIInChI=1S/C21H38.C19H34.C18H18.C17H22.C17H30.C16H20.C15H18.C13H14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-17-19-15-16-21(20)18-19;1-2-3-4-5-6-7-8-9-10-11-12-18-15-17-13-14-19(18)16-17;1-2-4-16-9-13(5-7-15(16)3-1)11-18-12-14-6-8-17(18)10-14;1-2-6-14(7-3-1)8-4-5-9-16-12-15-10-11-17(16)13-15;1-2-3-4-5-6-7-8-9-10-16-13-15-11-12-17(16)14-15;1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14;1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13;1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h15-16,19-21H,2-14,17-18H2,1H3;13-14,17-19H,2-12,15-16H2,1H3;1-9,14,17-18H,10-12H2;1-3,6-7,10-11,15-17H,4-5,8-9,12-13H2;11-12,15-17H,2-10,13-14H2,1H3;1-3,5-6,9-10,14-16H,4,7-8,11-12H2;1-5,7,9,13-15H,6,8,10-11H2;1-7,10,12-13H,8-9H2
InChIKeyJFKVLVYDZFLTDM-UHFFFAOYSA-N
XLogP40.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds48
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001829.05
LogP ≤ 540.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene (CID 163674445) is 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2CCCCc1ccccc1.C1=CC2CC1CC2CCCc1ccccc1.C1=CC2CC1CC2CCc1ccccc1.C1=CC2CC1CC2Cc1ccc2ccccc2c1.C1=CC2CC1CC2c1ccccc1.CCCCCCCCCCC1CC2C=CC1C2.CCCCCCCCCCCCC1CC2C=CC1C2.CCCCCCCCCCCCCCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene?
The InChIKey is JFKVLVYDZFLTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38.C19H34.C18H18.C17H22.C17H30.C16H20.C15H18.C13H14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-17-19-15-16-21(20)18-19;1-2-3-4-5-6-7-8-9-10-11-12-18-15-17-13-14-19(18)16-17;1-2-4-16-9-13(5-7-15(16)3-1)11-18-12-14-6-8-17(18)10-14;1-2-6-14(7-3-1)8-4-5-9-16-12-15-10-11-17(16)13-15;1-2-3-4-5-6-7-8-9-10-16-13-15-11-12-17(16)14-15;1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14;1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13;1-2-4-11(5-3-1)13-9-10-6-7-12(13)8-10/h15-16,19-21H,2-14,17-18H2,1H3;13-14,17-19H,2-12,15-16H2,1H3;1-9,14,17-18H,10-12H2;1-3,6-7,10-11,15-17H,4-5,8-9,12-13H2;11-12,15-17H,2-10,13-14H2,1H3;1-3,5-6,9-10,14-16H,4,7-8,11-12H2;1-5,7,9,13-15H,6,8,10-11H2;1-7,10,12-13H,8-9H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene?
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene has a molecular weight of 1829.05 g/mol, XLogP of 40.15, 48 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylmethyl)naphthalene;5-decylbicyclo[2.2.1]hept-2-ene;5-dodecylbicyclo[2.2.1]hept-2-ene;5-phenylbicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene;5-tetradecylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 163674445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).