(1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene

C20H32 — CID 14380754

IUPAC(1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene
SMILESC=C(C)[C@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@@H]3/C(C)=C\CC12
InChIInChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h7,15-19H,1,6,8-12H2,2-5H3/b14-7-/t15-,16-,17-,18-,19?,20-/m1/s1
InChIKeyQZVJAIKGBMBQTR-QIHNCSAQSA-N
MW272.48 g/mol
LogP6.00
Rot. Bonds1

About (1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene

(1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene (PubChem CID 14380754) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is (1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene.

Molecular Properties

Compound Name(1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene
PubChem CID14380754
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name(1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene
SMILESC=C(C)[C@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@@H]3/C(C)=C\CC12
InChIInChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h7,15-19H,1,6,8-12H2,2-5H3/b14-7-/t15-,16-,17-,18-,19?,20-/m1/s1
InChIKeyQZVJAIKGBMBQTR-QIHNCSAQSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene?
The IUPAC name of (1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene (CID 14380754) is (1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene.
What is the SMILES notation for (1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene?
The canonical SMILES for (1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene is C=C(C)[C@H]1CC[C@]2(C)C[C@@H]3[C@H](C)CC[C@@H]3/C(C)=C\CC12.
What is the InChIKey of (1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene?
The InChIKey is QZVJAIKGBMBQTR-QIHNCSAQSA-N. The full InChI is InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h7,15-19H,1,6,8-12H2,2-5H3/b14-7-/t15-,16-,17-,18-,19?,20-/m1/s1.
What are the key properties of (1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene?
(1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene has a molecular weight of 272.48 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R,7S,8Z,12S)-1,4,8-trimethyl-12-prop-1-en-2-yltricyclo[9.3.0.03,7]tetradec-8-ene is sourced from PubChem (CID 14380754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).