(2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane

C14H20 — CID 163754402

IUPAC(2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane
SMILESC=C=CCC1C2CCCC(C)(C=C)C12
InChIInChI=1S/C14H20/c1-4-6-8-11-12-9-7-10-14(3,5-2)13(11)12/h5-6,11-13H,1-2,7-10H2,3H3
InChIKeyLSTZLQNFBSIQMK-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.96
Rot. Bonds3

About (2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane

(2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane (PubChem CID 163754402) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane
PubChem CID163754402
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane
SMILESC=C=CCC1C2CCCC(C)(C=C)C12
InChIInChI=1S/C14H20/c1-4-6-8-11-12-9-7-10-14(3,5-2)13(11)12/h5-6,11-13H,1-2,7-10H2,3H3
InChIKeyLSTZLQNFBSIQMK-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.96
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

(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
[(1R,2S,3R,7R,8S,9R)-9-methoxy-7-methyl-10-methylidene-2-tricyclo[5.2.1.03,8]decanyl]methanol
CID 163049441
(1S,2S,3R)-1-ethenyl-1-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclohexane
CID 163017053
6-ethenyl-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 140839402
1,2-dimethyl-1-prop-2-enylcyclopentane
CID 148975719
1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane
CID 70503780
cis-(2S,3R)-2-[(E)-but-2-enyl]-1,1,3-trimethylcyclohexane
CID 173431731
but-1-ene;1,1,2,3-tetramethylcyclohexane
CID 142112432
2-(2-ethenyl-2-methyl-6-methylidenecyclohexyl)ethanol
CID 85287719
methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate
CID 129011744
cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine
CID 89155214
7-prop-2-enylspiro[2.5]octane
CID 163452278

Frequently Asked Questions

What is the IUPAC name of (2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane?
The IUPAC name of (2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane (CID 163754402) is (2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane.
What is the SMILES notation for (2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane?
The canonical SMILES for (2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane is C=C=CCC1C2CCCC(C)(C=C)C12.
What is the InChIKey of (2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane?
The InChIKey is LSTZLQNFBSIQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-4-6-8-11-12-9-7-10-14(3,5-2)13(11)12/h5-6,11-13H,1-2,7-10H2,3H3.
What are the key properties of (2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane?
(2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane has a molecular weight of 188.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-buta-2,3-dienyl-2-ethenyl-2-methylbicyclo[4.1.0]heptane is sourced from PubChem (CID 163754402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).