1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane

C13H24O — CID 20705639

IUPAC1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane
SMILESC/C=C/C1CCC(COCCC)CC1
InChIInChI=1S/C13H24O/c1-3-5-12-6-8-13(9-7-12)11-14-10-4-2/h3,5,12-13H,4,6-11H2,1-2H3/b5-3+
InChIKeyTZEADWGMLIIGBT-HWKANZROSA-N
MW196.33 g/mol
LogP3.80
Rot. Bonds5

About 1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane

1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane (PubChem CID 20705639) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane
PubChem CID20705639
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane
SMILESC/C=C/C1CCC(COCCC)CC1
InChIInChI=1S/C13H24O/c1-3-5-12-6-8-13(9-7-12)11-14-10-4-2/h3,5,12-13H,4,6-11H2,1-2H3/b5-3+
InChIKeyTZEADWGMLIIGBT-HWKANZROSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.80
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

4-(Ethoxymethyl)cyclohexene
CID 85982053
1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 58719042
1-[Difluoro(methoxy)methyl]-4-prop-1-enylcyclohexane
CID 72400498
1-(1-butoxypropyl)-4-[(E)-3-fluoroprop-1-enyl]cyclohexane
CID 90464674
1-[(E)-5-fluoropent-3-enyl]-4-[2-[4-(propoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 139673873
1,2-difluoro-3-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]cyclohexane
CID 145735197
7-Methoxymethyl-2-menthene
CID 129802620
(1r,4r)-7-Methoxymethyl-2-menthene
CID 129802658
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclopentene
CID 134943279
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene
CID 134966711
CID 134967098
CID 134967098
1-(2-ethoxyethyl)-3-[(E)-prop-1-enyl]cyclopentane
CID 135032406

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane?
The IUPAC name of 1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane (CID 20705639) is 1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane?
The canonical SMILES for 1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane is C/C=C/C1CCC(COCCC)CC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane?
The InChIKey is TZEADWGMLIIGBT-HWKANZROSA-N. The full InChI is InChI=1S/C13H24O/c1-3-5-12-6-8-13(9-7-12)11-14-10-4-2/h3,5,12-13H,4,6-11H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane?
1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane has a molecular weight of 196.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-4-(propoxymethyl)cyclohexane is sourced from PubChem (CID 20705639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).