1-cyclohexylprop-2-enoxymethylbenzene

C16H22O — CID 14952087

IUPAC1-cyclohexylprop-2-enoxymethylbenzene
SMILESC=CC(OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O/c1-2-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h2-3,5-6,9-10,15-16H,1,4,7-8,11-13H2
InChIKeyHCGSGQOJACMJJC-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.34
Rot. Bonds5

About 1-cyclohexylprop-2-enoxymethylbenzene

1-cyclohexylprop-2-enoxymethylbenzene (PubChem CID 14952087) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-cyclohexylprop-2-enoxymethylbenzene.

Molecular Properties

Compound Name1-cyclohexylprop-2-enoxymethylbenzene
PubChem CID14952087
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-cyclohexylprop-2-enoxymethylbenzene
SMILESC=CC(OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O/c1-2-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h2-3,5-6,9-10,15-16H,1,4,7-8,11-13H2
InChIKeyHCGSGQOJACMJJC-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.34
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

2-cyclohexyl-2-phenylmethoxyacetaldehyde
CID 10922402
cyclohexyl(phenylmethoxy)methanol
CID 54334195
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
dicyclohexylmethanol;prop-2-enylbenzene
CID 174723759
(3R)-3-cyclopentyl-3-phenylmethoxypropanenitrile
CID 102256914
[(1S)-1-cyclopropylethoxy]methylbenzene
CID 144674545
1-chloroprop-2-enoxymethylbenzene
CID 175273540
cyclohexylbenzene;ethenoxymethylbenzene
CID 161044898
N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide
CID 57287891
benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate
CID 160872437

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylprop-2-enoxymethylbenzene?
The IUPAC name of 1-cyclohexylprop-2-enoxymethylbenzene (CID 14952087) is 1-cyclohexylprop-2-enoxymethylbenzene.
What is the SMILES notation for 1-cyclohexylprop-2-enoxymethylbenzene?
The canonical SMILES for 1-cyclohexylprop-2-enoxymethylbenzene is C=CC(OCc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexylprop-2-enoxymethylbenzene?
The InChIKey is HCGSGQOJACMJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-2-16(15-11-7-4-8-12-15)17-13-14-9-5-3-6-10-14/h2-3,5-6,9-10,15-16H,1,4,7-8,11-13H2.
What are the key properties of 1-cyclohexylprop-2-enoxymethylbenzene?
1-cyclohexylprop-2-enoxymethylbenzene has a molecular weight of 230.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylprop-2-enoxymethylbenzene is sourced from PubChem (CID 14952087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).