4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene

C20H32 — CID 73200960

IUPAC4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene
SMILESC=C1CCC=C(C)CCC2=C(C)CCC(CC1)C2(C)C
InChIInChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h8,18H,1,6-7,9-14H2,2-5H3
InChIKeySNPPNYAGNBWZCL-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.60
Rot. Bonds

About 4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene

4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene (PubChem CID 73200960) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene.

Molecular Properties

Compound Name4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene
PubChem CID73200960
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene
SMILESC=C1CCC=C(C)CCC2=C(C)CCC(CC1)C2(C)C
InChIInChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h8,18H,1,6-7,9-14H2,2-5H3
InChIKeySNPPNYAGNBWZCL-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene?
The IUPAC name of 4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene (CID 73200960) is 4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene.
What is the SMILES notation for 4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene?
The canonical SMILES for 4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene is C=C1CCC=C(C)CCC2=C(C)CCC(CC1)C2(C)C.
What is the InChIKey of 4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene?
The InChIKey is SNPPNYAGNBWZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h8,18H,1,6-7,9-14H2,2-5H3.
What are the key properties of 4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene?
4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene has a molecular weight of 272.48 g/mol, XLogP of 6.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,14,15,15-tetramethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-diene is sourced from PubChem (CID 73200960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).