1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane

C14H26 — CID 144560661

IUPAC1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane
SMILESC=C1CC(C)CC(CC)(CC(C)C)C1
InChIInChI=1S/C14H26/c1-6-14(8-11(2)3)9-12(4)7-13(5)10-14/h11,13H,4,6-10H2,1-3,5H3
InChIKeyVGOFBKNIFYFDDW-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.81
Rot. Bonds3

About 1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane

1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane (PubChem CID 144560661) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane
PubChem CID144560661
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane
SMILESC=C1CC(C)CC(CC)(CC(C)C)C1
InChIInChI=1S/C14H26/c1-6-14(8-11(2)3)9-12(4)7-13(5)10-14/h11,13H,4,6-10H2,1-3,5H3
InChIKeyVGOFBKNIFYFDDW-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.81
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

Beta-Elemene
CID 6918391
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-
CID 10583
Cyclohexane, 1-methylene-4-(1-methylethenyl)-
CID 68140
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-
CID 9859094
(+-)-N,N-Dimethyl menthyl succinamide
CID 544714
1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
(-)-cis-beta-Elemene
CID 6431151
p-Menth-1(7)-ene
CID 517973
(Prop-1-en-2-yl)cyclohexane
CID 523966
Cyclohexane, 1-(1,1-dimethylethyl)-4-methylene-
CID 139425
2,4,4,6,6-Pentamethyl-1-heptene
CID 84164
Drim-8(12)-ene
CID 12184338

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane?
The IUPAC name of 1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane (CID 144560661) is 1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane?
The canonical SMILES for 1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane is C=C1CC(C)CC(CC)(CC(C)C)C1.
What is the InChIKey of 1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane?
The InChIKey is VGOFBKNIFYFDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-6-14(8-11(2)3)9-12(4)7-13(5)10-14/h11,13H,4,6-10H2,1-3,5H3.
What are the key properties of 1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane?
1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane has a molecular weight of 194.36 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-methylidene-1-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 144560661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).