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

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Acenaphthylene
CID 9161
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001

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).