2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane

C15H28 — CID 143896517

IUPAC2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1C(C(C)C)CCC(C)C1CC
InChIInChI=1S/C15H28/c1-6-8-15-13(7-2)12(5)9-10-14(15)11(3)4/h6,8,11-15H,7,9-10H2,1-5H3/b8-6+
InChIKeyCXOKTUKGBHBOCN-SOFGYWHQSA-N
MW208.39 g/mol
LogP4.91
Rot. Bonds3

About 2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane

2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane (PubChem CID 143896517) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane.

Molecular Properties

Compound Name2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane
PubChem CID143896517
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane
SMILESC/C=C/C1C(C(C)C)CCC(C)C1CC
InChIInChI=1S/C15H28/c1-6-8-15-13(7-2)12(5)9-10-14(15)11(3)4/h6,8,11-15H,7,9-10H2,1-5H3/b8-6+
InChIKeyCXOKTUKGBHBOCN-SOFGYWHQSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438
5-ethyl-1-methyl-2-propan-2-ylcycloheptane
CID 123365042
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
1,2-diethyl-3-propan-2-ylcyclopentane
CID 123700425
2-(2-methyl-5-propan-2-ylcyclopentyl)acetic acid
CID 121221263
2-ethyl-1-methyl-4-methylidene-3-propan-2-ylcyclopentane
CID 91509507
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
CID 143658128
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
(1R)-N-ethyl-1-[(1S,2R)-2-methylcyclobutyl]ethanamine
CID 70296617
cis-(2R,3S)-2-ethyl-3-methylcyclopentan-1-amine
CID 163832178

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane?
The IUPAC name of 2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane (CID 143896517) is 2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane.
What is the SMILES notation for 2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane?
The canonical SMILES for 2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane is C/C=C/C1C(C(C)C)CCC(C)C1CC.
What is the InChIKey of 2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane?
The InChIKey is CXOKTUKGBHBOCN-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H28/c1-6-8-15-13(7-2)12(5)9-10-14(15)11(3)4/h6,8,11-15H,7,9-10H2,1-5H3/b8-6+.
What are the key properties of 2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane?
2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane has a molecular weight of 208.39 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane is sourced from PubChem (CID 143896517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).