3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane

C13H20 — CID 102109236

IUPAC3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1(C)CCCC(=C2CC2)C1
InChIInChI=1S/C13H20/c1-10(2)13(3)8-4-5-12(9-13)11-6-7-11/h1,4-9H2,2-3H3
InChIKeyUSSFHOKONTUIBD-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.23
Rot. Bonds1

About 3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane

3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane (PubChem CID 102109236) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane
PubChem CID102109236
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1(C)CCCC(=C2CC2)C1
InChIInChI=1S/C13H20/c1-10(2)13(3)8-4-5-12(9-13)11-6-7-11/h1,4-9H2,2-3H3
InChIKeyUSSFHOKONTUIBD-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.23
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

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N,5-dimethyl-1,2,3,4,6,7-hexahydroinden-5-amine
CID 166974138
methyl (1R)-1-methyl-3-oxocyclohexane-1-carboxylate
CID 12576327
1-methyl-3-methylidenecyclohexan-1-ol
CID 23345654
4,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalene
CID 71441384
2,3-dimethanidylbuta-1,3-diene;1,2-dimethylidenecyclopentane;ethane;6-methanidyl-6-prop-1-en-2-yl-1,2,3,4,5,7-hexahydroindene;bis(yttrium)
CID 158062333
4,4,7,7-tetramethyl-1,2,3,5,6,8-hexahydronaphthalene
CID 175928717
(2E)-3-cyclodecylidene-2-(3-cyclodecylidenebutan-2-ylidene)spiro[3.9]tridecane
CID 141395020
1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane
CID 123856469
1,2-dimethyl-4-methylidene-1-prop-1-en-2-ylcyclopentane
CID 20644989
(2R,3R)-2,3,8,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
CID 143276982

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane?
The IUPAC name of 3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane (CID 102109236) is 3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane is C=C(C)C1(C)CCCC(=C2CC2)C1.
What is the InChIKey of 3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane?
The InChIKey is USSFHOKONTUIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-10(2)13(3)8-4-5-12(9-13)11-6-7-11/h1,4-9H2,2-3H3.
What are the key properties of 3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane?
3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane has a molecular weight of 176.30 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylidene-1-methyl-1-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 102109236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).