1-[(2-methylcyclohexyl)methyl]naphthalene

C18H22 — CID 91507555

IUPAC1-[(2-methylcyclohexyl)methyl]naphthalene
SMILESCC1CCCCC1Cc1cccc2ccccc12
InChIInChI=1S/C18H22/c1-14-7-2-3-9-16(14)13-17-11-6-10-15-8-4-5-12-18(15)17/h4-6,8,10-12,14,16H,2-3,7,9,13H2,1H3
InChIKeyRUDNYZAOYOZAJV-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.21
Rot. Bonds2

About 1-[(2-methylcyclohexyl)methyl]naphthalene

1-[(2-methylcyclohexyl)methyl]naphthalene (PubChem CID 91507555) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)methyl]naphthalene
PubChem CID91507555
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-[(2-methylcyclohexyl)methyl]naphthalene
SMILESCC1CCCCC1Cc1cccc2ccccc12
InChIInChI=1S/C18H22/c1-14-7-2-3-9-16(14)13-17-11-6-10-15-8-4-5-12-18(15)17/h4-6,8,10-12,14,16H,2-3,7,9,13H2,1H3
InChIKeyRUDNYZAOYOZAJV-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)methyl]naphthalene?
The IUPAC name of 1-[(2-methylcyclohexyl)methyl]naphthalene (CID 91507555) is 1-[(2-methylcyclohexyl)methyl]naphthalene.
What is the SMILES notation for 1-[(2-methylcyclohexyl)methyl]naphthalene?
The canonical SMILES for 1-[(2-methylcyclohexyl)methyl]naphthalene is CC1CCCCC1Cc1cccc2ccccc12.
What is the InChIKey of 1-[(2-methylcyclohexyl)methyl]naphthalene?
The InChIKey is RUDNYZAOYOZAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-14-7-2-3-9-16(14)13-17-11-6-10-15-8-4-5-12-18(15)17/h4-6,8,10-12,14,16H,2-3,7,9,13H2,1H3.
What are the key properties of 1-[(2-methylcyclohexyl)methyl]naphthalene?
1-[(2-methylcyclohexyl)methyl]naphthalene has a molecular weight of 238.37 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)methyl]naphthalene is sourced from PubChem (CID 91507555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).