3-methylbut-2-enylcyclohexane

C11H20 — CID 57116063

IUPAC3-methylbut-2-enylcyclohexane
SMILESCC(C)=CCC1CCCCC1
InChIInChI=1S/C11H20/c1-10(2)8-9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3
InChIKeyWYKZHPGPQRJACB-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds2

About 3-methylbut-2-enylcyclohexane

3-methylbut-2-enylcyclohexane (PubChem CID 57116063) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3-methylbut-2-enylcyclohexane.

Molecular Properties

Compound Name3-methylbut-2-enylcyclohexane
PubChem CID57116063
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3-methylbut-2-enylcyclohexane
SMILESCC(C)=CCC1CCCCC1
InChIInChI=1S/C11H20/c1-10(2)8-9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3
InChIKeyWYKZHPGPQRJACB-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
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

3-methylbut-2-enylcyclopropane
CID 12663410
tert-butyl (E)-4-cyclohexyl-2-methylbut-2-enoate
CID 11053722
2-methyl-4-[4-(3-methyl-4-oxobut-2-enyl)cyclohexyl]but-2-enal
CID 173408672
(5-cyclohexyl-3-methylpent-3-enyl) methanesulfonate
CID 54496519
[(E)-2-methylpent-2-enyl]cyclohexane
CID 143898911
[(Z)-pent-2-enyl]cyclohexane
CID 142389196
[(Z)-3-ethylsulfonyl-4,4,4-trifluorobut-2-enyl]cyclohexane
CID 15259647
[(E)-3-cyclohexylprop-1-enyl]boronic acid
CID 6031959
[(E)-3-cyclopentyl-1-methylsulfanylprop-1-enoxy]-trimethylsilane
CID 101109990
methyl (Z)-4-cyclopentyl-2-iodobut-2-enoate
CID 87416854
methyl 4-cyclooctyl-2-methylbut-2-enoate;methyl 2-(cyclooctylmethyl)prop-2-enoate
CID 175495445
5-methylhex-4-en-2-ynylcyclohexane
CID 162513481

Frequently Asked Questions

What is the IUPAC name of 3-methylbut-2-enylcyclohexane?
The IUPAC name of 3-methylbut-2-enylcyclohexane (CID 57116063) is 3-methylbut-2-enylcyclohexane.
What is the SMILES notation for 3-methylbut-2-enylcyclohexane?
The canonical SMILES for 3-methylbut-2-enylcyclohexane is CC(C)=CCC1CCCCC1.
What is the InChIKey of 3-methylbut-2-enylcyclohexane?
The InChIKey is WYKZHPGPQRJACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-10(2)8-9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3.
What are the key properties of 3-methylbut-2-enylcyclohexane?
3-methylbut-2-enylcyclohexane has a molecular weight of 152.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbut-2-enylcyclohexane is sourced from PubChem (CID 57116063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).