methylcyclohexane;naphthalen-1-ylmethyl formate

C19H24O2 — CID 163395857

IUPACmethylcyclohexane;naphthalen-1-ylmethyl formate
SMILESCC1CCCCC1.O=COCc1cccc2ccccc12
InChIInChI=1S/C12H10O2.C7H14/c13-9-14-8-11-6-3-5-10-4-1-2-7-12(10)11;1-7-5-3-2-4-6-7/h1-7,9H,8H2;7H,2-6H2,1H3
InChIKeyYZSMOUPILUDSJP-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.10
Rot. Bonds3

About methylcyclohexane;naphthalen-1-ylmethyl formate

methylcyclohexane;naphthalen-1-ylmethyl formate (PubChem CID 163395857) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is methylcyclohexane;naphthalen-1-ylmethyl formate.

Molecular Properties

Compound Namemethylcyclohexane;naphthalen-1-ylmethyl formate
PubChem CID163395857
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Namemethylcyclohexane;naphthalen-1-ylmethyl formate
SMILESCC1CCCCC1.O=COCc1cccc2ccccc12
InChIInChI=1S/C12H10O2.C7H14/c13-9-14-8-11-6-3-5-10-4-1-2-7-12(10)11;1-7-5-3-2-4-6-7/h1-7,9H,8H2;7H,2-6H2,1H3
InChIKeyYZSMOUPILUDSJP-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

anthracen-1-ylmethyl formate
CID 54364674
1-ethylnaphthalene;methylcyclopropane
CID 142069670
(2-methyl-3-naphthalen-1-ylphenyl)methyl formate
CID 174343361
1-(3,5-dimethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 105105139
(2-sulfanylphenyl)methyl formate
CID 59818998
1-[(2-methylcyclohexyl)methyl]naphthalene
CID 91507555
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
formyl 2-naphthalen-1-ylacetate
CID 57137392
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
(1-cyclohexyl-2-naphthalen-1-ylethyl)hydrazine
CID 105201891
4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63407888
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;naphthalen-1-ylmethyl formate?
The IUPAC name of methylcyclohexane;naphthalen-1-ylmethyl formate (CID 163395857) is methylcyclohexane;naphthalen-1-ylmethyl formate.
What is the SMILES notation for methylcyclohexane;naphthalen-1-ylmethyl formate?
The canonical SMILES for methylcyclohexane;naphthalen-1-ylmethyl formate is CC1CCCCC1.O=COCc1cccc2ccccc12.
What is the InChIKey of methylcyclohexane;naphthalen-1-ylmethyl formate?
The InChIKey is YZSMOUPILUDSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2.C7H14/c13-9-14-8-11-6-3-5-10-4-1-2-7-12(10)11;1-7-5-3-2-4-6-7/h1-7,9H,8H2;7H,2-6H2,1H3.
What are the key properties of methylcyclohexane;naphthalen-1-ylmethyl formate?
methylcyclohexane;naphthalen-1-ylmethyl formate has a molecular weight of 284.40 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;naphthalen-1-ylmethyl formate is sourced from PubChem (CID 163395857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).