(3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene

C15H22 — CID 53310786

IUPAC(3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene
SMILESC=C[C@]1(C)C=CC(=C(C)C)C[C@H]1C(=C)C
InChIInChI=1S/C15H22/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7-9,14H,1,4,10H2,2-3,5-6H3/t14-,15+/m0/s1
InChIKeyAXYSUALLGDLVIT-LSDHHAIUSA-N
MW202.34 g/mol
LogP4.67
Rot. Bonds2

About (3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene

(3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene (PubChem CID 53310786) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene
PubChem CID53310786
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene
SMILESC=C[C@]1(C)C=CC(=C(C)C)C[C@H]1C(=C)C
InChIInChI=1S/C15H22/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7-9,14H,1,4,10H2,2-3,5-6H3/t14-,15+/m0/s1
InChIKeyAXYSUALLGDLVIT-LSDHHAIUSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.67
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

alpha-PHELLANDRENE
CID 7460
Beta-Phellandrene
CID 11142
alpha-PHELLANDRENE, (-)-
CID 442482
Elemene
CID 12309449
Germacrene D
CID 5317570
(+)-alpha-Phellandrene
CID 443160
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
Axerophthene
CID 5287722
(6E)-6-((2E,4E,6E)-3,7-Dimethyl-2,4,6,8-nonatetraen-1-ylidene)-1,5,5-trimethylcyclohexene
CID 5287678
(-)-beta-Phellandrene
CID 443161
Sesquiphellandrene
CID 519764
Isoterpinolene
CID 102443

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene (CID 53310786) is (3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene is C=C[C@]1(C)C=CC(=C(C)C)C[C@H]1C(=C)C.
What is the InChIKey of (3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene?
The InChIKey is AXYSUALLGDLVIT-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H22/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7-9,14H,1,4,10H2,2-3,5-6H3/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene?
(3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene has a molecular weight of 202.34 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 53310786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).