2-[3-(4-methylcyclohexyl)propyl]naphthalene

C20H26 — CID 59545635

IUPAC2-[3-(4-methylcyclohexyl)propyl]naphthalene
SMILESCC1CCC(CCCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H26/c1-16-9-11-17(12-10-16)5-4-6-18-13-14-19-7-2-3-8-20(19)15-18/h2-3,7-8,13-17H,4-6,9-12H2,1H3
InChIKeyADJNCMBOARBMJX-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.99
Rot. Bonds4

About 2-[3-(4-methylcyclohexyl)propyl]naphthalene

2-[3-(4-methylcyclohexyl)propyl]naphthalene (PubChem CID 59545635) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[3-(4-methylcyclohexyl)propyl]naphthalene.

Molecular Properties

Compound Name2-[3-(4-methylcyclohexyl)propyl]naphthalene
PubChem CID59545635
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name2-[3-(4-methylcyclohexyl)propyl]naphthalene
SMILESCC1CCC(CCCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H26/c1-16-9-11-17(12-10-16)5-4-6-18-13-14-19-7-2-3-8-20(19)15-18/h2-3,7-8,13-17H,4-6,9-12H2,1H3
InChIKeyADJNCMBOARBMJX-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
4-(2-naphthalen-2-ylethyl)piperidine
CID 43146715
1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene
CID 54167085
2-(cyclopropylmethyl)naphthalene
CID 19063908
1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene
CID 59545688
ethane;2-hexylnaphthalene
CID 142191207
2-butylpentacene
CID 172754039
2-(4-butylcyclohexyl)-6-propylnaphthalene
CID 20500444
2-butyltetracene
CID 177478805
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
2-(4-methylcyclohexyl)-6-pentylnaphthalene
CID 20500456
1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
CID 19739243

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylcyclohexyl)propyl]naphthalene?
The IUPAC name of 2-[3-(4-methylcyclohexyl)propyl]naphthalene (CID 59545635) is 2-[3-(4-methylcyclohexyl)propyl]naphthalene.
What is the SMILES notation for 2-[3-(4-methylcyclohexyl)propyl]naphthalene?
The canonical SMILES for 2-[3-(4-methylcyclohexyl)propyl]naphthalene is CC1CCC(CCCc2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[3-(4-methylcyclohexyl)propyl]naphthalene?
The InChIKey is ADJNCMBOARBMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-16-9-11-17(12-10-16)5-4-6-18-13-14-19-7-2-3-8-20(19)15-18/h2-3,7-8,13-17H,4-6,9-12H2,1H3.
What are the key properties of 2-[3-(4-methylcyclohexyl)propyl]naphthalene?
2-[3-(4-methylcyclohexyl)propyl]naphthalene has a molecular weight of 266.43 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylcyclohexyl)propyl]naphthalene is sourced from PubChem (CID 59545635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).