1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene

C16H22O — CID 59078655

IUPAC1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene
SMILESC=CC1(OCc2ccc(C)cc2)CCCCC1
InChIInChI=1S/C16H22O/c1-3-16(11-5-4-6-12-16)17-13-15-9-7-14(2)8-10-15/h3,7-10H,1,4-6,11-13H2,2H3
InChIKeyFIDMLFOLXSWFDL-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.40
Rot. Bonds4

About 1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene

1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene (PubChem CID 59078655) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene
PubChem CID59078655
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene
SMILESC=CC1(OCc2ccc(C)cc2)CCCCC1
InChIInChI=1S/C16H22O/c1-3-16(11-5-4-6-12-16)17-13-15-9-7-14(2)8-10-15/h3,7-10H,1,4-6,11-13H2,2H3
InChIKeyFIDMLFOLXSWFDL-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde
CID 131113832
1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
CID 84722324
1-[[1-(iodomethyl)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 114773651
1-(buta-1,3-dienoxymethyl)-4-methylbenzene
CID 118966136
(2R)-2-ethenyl-2-[(4-methoxyphenyl)methoxy]cyclopentan-1-one
CID 11615719
1-(hydroperoxymethyl)-4-(4-methylphenyl)benzene
CID 20677048
[1-(iodomethyl)cyclohexyl]oxymethylbenzene
CID 114772517
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
(4-methylphenyl)methyl hypochlorite
CID 174764062
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylbenzene
CID 66048468
1-(difluoromethoxymethyl)-4-methylbenzene
CID 162716622

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene?
The IUPAC name of 1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene (CID 59078655) is 1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene.
What is the SMILES notation for 1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene?
The canonical SMILES for 1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene is C=CC1(OCc2ccc(C)cc2)CCCCC1.
What is the InChIKey of 1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene?
The InChIKey is FIDMLFOLXSWFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-16(11-5-4-6-12-16)17-13-15-9-7-14(2)8-10-15/h3,7-10H,1,4-6,11-13H2,2H3.
What are the key properties of 1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene?
1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene has a molecular weight of 230.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethenylcyclohexyl)oxymethyl]-4-methylbenzene is sourced from PubChem (CID 59078655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).