2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene

C23H32 — CID 57064736

IUPAC2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene
SMILESCCC(C)C(Cc1ccc2ccccc2c1)CC1CCCCC1
InChIInChI=1S/C23H32/c1-3-18(2)23(15-19-9-5-4-6-10-19)17-20-13-14-21-11-7-8-12-22(21)16-20/h7-8,11-14,16,18-19,23H,3-6,9-10,15,17H2,1-2H3
InChIKeyLMDUBYLKHBNZNP-UHFFFAOYSA-N
MW308.51 g/mol
LogP7.01
Rot. Bonds6

About 2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene

2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene (PubChem CID 57064736) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene.

Molecular Properties

Compound Name2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene
PubChem CID57064736
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene
SMILESCCC(C)C(Cc1ccc2ccccc2c1)CC1CCCCC1
InChIInChI=1S/C23H32/c1-3-18(2)23(15-19-9-5-4-6-10-19)17-20-13-14-21-11-7-8-12-22(21)16-20/h7-8,11-14,16,18-19,23H,3-6,9-10,15,17H2,1-2H3
InChIKeyLMDUBYLKHBNZNP-UHFFFAOYSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-cyclohexyl-2-cyclopentylpropyl)naphthalene
CID 57267365
[2-(cyclohexylmethyl)-3-methylbutyl]benzene
CID 54237378
(2-ethyl-3-methylpentyl)cyclohexane
CID 91213059
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene
CID 57017879
2-(2-chlorobutyl)naphthalene
CID 21490588
2-(2-propan-2-ylpentyl)naphthalene
CID 173217624
1-cyclohexyl-N-[1,3-dinaphthalen-2-ylpropan-2-yloxy(methoxy)boranyl]ethanamine
CID 142124690
2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
CID 107183500
[2-(cyclopropylmethyl)-3-methylpentyl]cyclobutane
CID 57296236
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
2-(cyclohexyloxymethyl)naphthalene
CID 10705229

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene?
The IUPAC name of 2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene (CID 57064736) is 2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene.
What is the SMILES notation for 2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene?
The canonical SMILES for 2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene is CCC(C)C(Cc1ccc2ccccc2c1)CC1CCCCC1.
What is the InChIKey of 2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene?
The InChIKey is LMDUBYLKHBNZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-3-18(2)23(15-19-9-5-4-6-10-19)17-20-13-14-21-11-7-8-12-22(21)16-20/h7-8,11-14,16,18-19,23H,3-6,9-10,15,17H2,1-2H3.
What are the key properties of 2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene?
2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene has a molecular weight of 308.51 g/mol, XLogP of 7.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene is sourced from PubChem (CID 57064736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).