(5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene

C15H24 — CID 91750200

IUPAC(5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene
SMILESC=C/C(C)=C/C[C@]1(C)C(C)=CCC[C@H]1C
InChIInChI=1S/C15H24/c1-6-12(2)10-11-15(5)13(3)8-7-9-14(15)4/h6,8,10,14H,1,7,9,11H2,2-5H3/b12-10+/t14-,15-/m1/s1
InChIKeySDGBQFYYFDSSQI-CFXNXBPSSA-N
MW204.36 g/mol
LogP4.89
Rot. Bonds3

About (5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene

(5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene (PubChem CID 91750200) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene.

Molecular Properties

Compound Name(5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene
PubChem CID91750200
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene
SMILESC=C/C(C)=C/C[C@]1(C)C(C)=CCC[C@H]1C
InChIInChI=1S/C15H24/c1-6-12(2)10-11-15(5)13(3)8-7-9-14(15)4/h6,8,10,14H,1,7,9,11H2,2-5H3/b12-10+/t14-,15-/m1/s1
InChIKeySDGBQFYYFDSSQI-CFXNXBPSSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene?
The IUPAC name of (5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene (CID 91750200) is (5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene.
What is the SMILES notation for (5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene?
The canonical SMILES for (5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene is C=C/C(C)=C/C[C@]1(C)C(C)=CCC[C@H]1C.
What is the InChIKey of (5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene?
The InChIKey is SDGBQFYYFDSSQI-CFXNXBPSSA-N. The full InChI is InChI=1S/C15H24/c1-6-12(2)10-11-15(5)13(3)8-7-9-14(15)4/h6,8,10,14H,1,7,9,11H2,2-5H3/b12-10+/t14-,15-/m1/s1.
What are the key properties of (5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene?
(5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene has a molecular weight of 204.36 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-1,5,6-trimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]cyclohexene is sourced from PubChem (CID 91750200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).