2-hept-4-enoxyethylcyclohexane

C15H28O — CID 56977633

IUPAC2-hept-4-enoxyethylcyclohexane
SMILESCCC=CCCCOCCC1CCCCC1
InChIInChI=1S/C15H28O/c1-2-3-4-5-9-13-16-14-12-15-10-7-6-8-11-15/h3-4,15H,2,5-14H2,1H3
InChIKeyYEWQRKDANXWGOU-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.72
Rot. Bonds8

About 2-hept-4-enoxyethylcyclohexane

2-hept-4-enoxyethylcyclohexane (PubChem CID 56977633) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-hept-4-enoxyethylcyclohexane.

Molecular Properties

Compound Name2-hept-4-enoxyethylcyclohexane
PubChem CID56977633
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-hept-4-enoxyethylcyclohexane
SMILESCCC=CCCCOCCC1CCCCC1
InChIInChI=1S/C15H28O/c1-2-3-4-5-9-13-16-14-12-15-10-7-6-8-11-15/h3-4,15H,2,5-14H2,1H3
InChIKeyYEWQRKDANXWGOU-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydro-3-[[4-(1-methylethyl)-1-cyclohexen-1-yl]methyl]furan
CID 3024244
[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
CID 14970181
[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
CID 11858809
4-(Ethoxymethyl)cyclohexene
CID 85982053
3-(2-Fluoro-1-methoxypropan-2-yl)cyclohexene
CID 89383945
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
(2S,3S)-3-[(E)-hex-1-enyl]-2-propan-2-yloxane
CID 10632276
[1-(Hexyloxy)but-3-EN-1-YL]cyclohexane
CID 15174029
7-Methoxymethyl-2-menthene
CID 129802620
(1r,4r)-7-Methoxymethyl-2-menthene
CID 129802658
cis-(1R,2S)-1-methoxy-2-prop-2-enylcyclohexane
CID 134875272
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene
CID 134943279

Frequently Asked Questions

What is the IUPAC name of 2-hept-4-enoxyethylcyclohexane?
The IUPAC name of 2-hept-4-enoxyethylcyclohexane (CID 56977633) is 2-hept-4-enoxyethylcyclohexane.
What is the SMILES notation for 2-hept-4-enoxyethylcyclohexane?
The canonical SMILES for 2-hept-4-enoxyethylcyclohexane is CCC=CCCCOCCC1CCCCC1.
What is the InChIKey of 2-hept-4-enoxyethylcyclohexane?
The InChIKey is YEWQRKDANXWGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-2-3-4-5-9-13-16-14-12-15-10-7-6-8-11-15/h3-4,15H,2,5-14H2,1H3.
What are the key properties of 2-hept-4-enoxyethylcyclohexane?
2-hept-4-enoxyethylcyclohexane has a molecular weight of 224.39 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-4-enoxyethylcyclohexane is sourced from PubChem (CID 56977633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).