(1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene

C14H22 — CID 163060993

IUPAC(1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
SMILESCC(C)=CCC[C@]1(C)C2CC=C[C@@H]1C2
InChIInChI=1S/C14H22/c1-11(2)6-5-9-14(3)12-7-4-8-13(14)10-12/h4,6-7,12-13H,5,8-10H2,1-3H3/t12-,13?,14+/m1/s1
InChIKeyBBSXSTLVJUTZRU-YIOYIWSBSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds3

About (1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene

(1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene (PubChem CID 163060993) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene.

Molecular Properties

Compound Name(1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
PubChem CID163060993
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
SMILESCC(C)=CCC[C@]1(C)C2CC=C[C@@H]1C2
InChIInChI=1S/C14H22/c1-11(2)6-5-9-14(3)12-7-4-8-13(14)10-12/h4,6-7,12-13H,5,8-10H2,1-3H3/t12-,13?,14+/m1/s1
InChIKeyBBSXSTLVJUTZRU-YIOYIWSBSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-6-methyl-6-(4-methylpent-3-enyl)-3-oxabicyclo[3.1.0]hexane
CID 101410501
(6R,7R)-1,7-dimethyl-7-(4-methylpent-3-enyl)tricyclo[2.2.1.02,6]heptane
CID 56928116
(1R,2S,5R,6R)-6-methyl-6-(4-methylpent-3-enyl)spiro[bicyclo[3.1.1]heptane-2,2'-oxirane]-3-one
CID 134827983
(E)-5-[(1S,5S,6R)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]-2-methylpent-2-enal
CID 91747476
2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol
CID 85361278
(Z)-5-[(1S,5S,6S)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]-2-methylpent-2-enoic acid
CID 163039934
(Z)-5-(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methylpent-2-enoic acid
CID 122391231
(1R,4aR,5S,6S,8S,8aS)-6-chloro-8-hydroxy-5,8a-dimethyl-5-(4-methylpent-3-enyl)-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarbaldehyde
CID 162888735
(1R,2R,4R,6S,7S)-2,7-dimethyl-7-(4-methylpent-3-enyl)-3-oxatricyclo[4.1.1.02,4]octan-5-one
CID 170988893
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
(1S,1aR,4R,4aS,7R,7aS,7bR)-1,4,7-trimethyl-1-(4-methylpent-3-enyl)-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
CID 10494901
(1S)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
CID 90472923

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene?
The IUPAC name of (1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene (CID 163060993) is (1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene.
What is the SMILES notation for (1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene?
The canonical SMILES for (1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene is CC(C)=CCC[C@]1(C)C2CC=C[C@@H]1C2.
What is the InChIKey of (1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene?
The InChIKey is BBSXSTLVJUTZRU-YIOYIWSBSA-N. The full InChI is InChI=1S/C14H22/c1-11(2)6-5-9-14(3)12-7-4-8-13(14)10-12/h4,6-7,12-13H,5,8-10H2,1-3H3/t12-,13?,14+/m1/s1.
What are the key properties of (1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene?
(1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene has a molecular weight of 190.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-methyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene is sourced from PubChem (CID 163060993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).