(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene

C20H32 — CID 171666172

IUPAC(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene
SMILESCC(C)=CCC[C@@]1(C)[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]21
InChIInChI=1S/C20H32/c1-15(2)8-7-13-20(5)18-12-11-16(3)9-6-10-17(4)14-19(18)20/h8-9,14,18-19H,6-7,10-13H2,1-5H3/b16-9-,17-14-/t18-,19+,20+/m0/s1
InChIKeyKYKXKNMWODEXOJ-GGAMFQQQSA-N
MW272.48 g/mol
LogP6.45
Rot. Bonds3

About (1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene

(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene (PubChem CID 171666172) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene.

Molecular Properties

Compound Name(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene
PubChem CID171666172
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene
SMILESCC(C)=CCC[C@@]1(C)[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]21
InChIInChI=1S/C20H32/c1-15(2)8-7-13-20(5)18-12-11-16(3)9-6-10-17(4)14-19(18)20/h8-9,14,18-19H,6-7,10-13H2,1-5H3/b16-9-,17-14-/t18-,19+,20+/m0/s1
InChIKeyKYKXKNMWODEXOJ-GGAMFQQQSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene?
The IUPAC name of (1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene (CID 171666172) is (1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene.
What is the SMILES notation for (1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene?
The canonical SMILES for (1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene is CC(C)=CCC[C@@]1(C)[C@@H]2/C=C(/C)CC/C=C(/C)CC[C@@H]21.
What is the InChIKey of (1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene?
The InChIKey is KYKXKNMWODEXOJ-GGAMFQQQSA-N. The full InChI is InChI=1S/C20H32/c1-15(2)8-7-13-20(5)18-12-11-16(3)9-6-10-17(4)14-19(18)20/h8-9,14,18-19H,6-7,10-13H2,1-5H3/b16-9-,17-14-/t18-,19+,20+/m0/s1.
What are the key properties of (1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene?
(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene has a molecular weight of 272.48 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene is sourced from PubChem (CID 171666172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).