2-pentylnaphthalene;prop-1-ene

C18H24 — CID 173098363

IUPAC2-pentylnaphthalene;prop-1-ene
SMILESC=CC.CCCCCc1ccc2ccccc2c1
InChIInChI=1S/C15H18.C3H6/c1-2-3-4-7-13-10-11-14-8-5-6-9-15(14)12-13;1-3-2/h5-6,8-12H,2-4,7H2,1H3;3H,1H2,2H3
InChIKeyXFJOQJRJFFVPMT-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.76
Rot. Bonds4

About 2-pentylnaphthalene;prop-1-ene

2-pentylnaphthalene;prop-1-ene (PubChem CID 173098363) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-pentylnaphthalene;prop-1-ene.

Molecular Properties

Compound Name2-pentylnaphthalene;prop-1-ene
PubChem CID173098363
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name2-pentylnaphthalene;prop-1-ene
SMILESC=CC.CCCCCc1ccc2ccccc2c1
InChIInChI=1S/C15H18.C3H6/c1-2-3-4-7-13-10-11-14-8-5-6-9-15(14)12-13;1-3-2/h5-6,8-12H,2-4,7H2,1H3;3H,1H2,2H3
InChIKeyXFJOQJRJFFVPMT-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.76
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'}

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Related Compounds

ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-[(E)-docos-17-enyl]naphthalene
CID 101307791
2-butyltetracene
CID 177478805
2-butylpentacene
CID 172754039
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
2-dodec-11-enylnaphthalene
CID 101307470
2-[(E)-hexadec-3-enyl]naphthalene
CID 101307554
6,13-dibromo-2-tetracosylpentacene
CID 162372248

Frequently Asked Questions

What is the IUPAC name of 2-pentylnaphthalene;prop-1-ene?
The IUPAC name of 2-pentylnaphthalene;prop-1-ene (CID 173098363) is 2-pentylnaphthalene;prop-1-ene.
What is the SMILES notation for 2-pentylnaphthalene;prop-1-ene?
The canonical SMILES for 2-pentylnaphthalene;prop-1-ene is C=CC.CCCCCc1ccc2ccccc2c1.
What is the InChIKey of 2-pentylnaphthalene;prop-1-ene?
The InChIKey is XFJOQJRJFFVPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C3H6/c1-2-3-4-7-13-10-11-14-8-5-6-9-15(14)12-13;1-3-2/h5-6,8-12H,2-4,7H2,1H3;3H,1H2,2H3.
What are the key properties of 2-pentylnaphthalene;prop-1-ene?
2-pentylnaphthalene;prop-1-ene has a molecular weight of 240.39 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylnaphthalene;prop-1-ene is sourced from PubChem (CID 173098363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).