[(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene

C17H22O — CID 11064584

IUPAC[(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene
SMILESC/C(=C\c1ccccc1)COCC1=CCCCC1
InChIInChI=1S/C17H22O/c1-15(12-16-8-4-2-5-9-16)13-18-14-17-10-6-3-7-11-17/h2,4-5,8-10,12H,3,6-7,11,13-14H2,1H3/b15-12+
InChIKeyGKPYEUATKNEJHR-NTCAYCPXSA-N
MW242.36 g/mol
LogP4.61
Rot. Bonds5

About [(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene

[(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene (PubChem CID 11064584) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is [(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene
PubChem CID11064584
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name[(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene
SMILESC/C(=C\c1ccccc1)COCC1=CCCCC1
InChIInChI=1S/C17H22O/c1-15(12-16-8-4-2-5-9-16)13-18-14-17-10-6-3-7-11-17/h2,4-5,8-10,12H,3,6-7,11,13-14H2,1H3/b15-12+
InChIKeyGKPYEUATKNEJHR-NTCAYCPXSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.61
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

3-(cyclohexen-1-yl)buta-1,2-dienylbenzene
CID 11390193
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
1-(methoxymethyl)cycloheptene
CID 66889077
3-benzylidene-5-(cyclohexen-1-yl)pent-4-yn-2-one
CID 141303782
[(Z)-1-(cyclohexen-1-yl)-2-phenylethenyl]sulfanylbenzene
CID 101392256
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
1-[(E)-1-nitro-2-phenylethenyl]cycloheptene
CID 10060336
2,3-dibenzylidene-1-(cyclohexen-1-yl)-4-phenylbutane-1,4-dione
CID 91405065
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene
CID 162401411
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244
cyclohexen-1-ylmethyl(trimethyl)silane
CID 10964921

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene?
The IUPAC name of [(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene (CID 11064584) is [(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene?
The canonical SMILES for [(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene is C/C(=C\c1ccccc1)COCC1=CCCCC1.
What is the InChIKey of [(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene?
The InChIKey is GKPYEUATKNEJHR-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H22O/c1-15(12-16-8-4-2-5-9-16)13-18-14-17-10-6-3-7-11-17/h2,4-5,8-10,12H,3,6-7,11,13-14H2,1H3/b15-12+.
What are the key properties of [(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene?
[(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene has a molecular weight of 242.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(cyclohexen-1-ylmethoxy)-2-methylprop-1-enyl]benzene is sourced from PubChem (CID 11064584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).