(6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene

C15H28 — CID 162868046

IUPAC(6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene
SMILESCC1=CCCC(C)(C)[C@]1(C)CCC(C)C
InChIInChI=1S/C15H28/c1-12(2)9-11-15(6)13(3)8-7-10-14(15,4)5/h8,12H,7,9-11H2,1-6H3/t15-/m1/s1
InChIKeyMLJMVGRFLHDPFY-OAHLLOKOSA-N
MW208.39 g/mol
LogP5.20
Rot. Bonds3

About (6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene

(6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene (PubChem CID 162868046) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene.

Molecular Properties

Compound Name(6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene
PubChem CID162868046
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene
SMILESCC1=CCCC(C)(C)[C@]1(C)CCC(C)C
InChIInChI=1S/C15H28/c1-12(2)9-11-15(6)13(3)8-7-10-14(15,4)5/h8,12H,7,9-11H2,1-6H3/t15-/m1/s1
InChIKeyMLJMVGRFLHDPFY-OAHLLOKOSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.20
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-Pinene
CID 6654
1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(-)-Caryophyllene
CID 5281515
(+)-Limonene
CID 440917
alpha-Pinene, (+)-
CID 82227
Limonene, (-)-
CID 439250
(-)-alpha-Pinene
CID 440968
3-Carene
CID 26049
Beta-Phellandrene
CID 11142
Valencene
CID 9855795
(+)-3-Carene
CID 443156
beta-Cadinene
CID 10657

Frequently Asked Questions

What is the IUPAC name of (6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene?
The IUPAC name of (6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene (CID 162868046) is (6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene.
What is the SMILES notation for (6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene?
The canonical SMILES for (6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene is CC1=CCCC(C)(C)[C@]1(C)CCC(C)C.
What is the InChIKey of (6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene?
The InChIKey is MLJMVGRFLHDPFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H28/c1-12(2)9-11-15(6)13(3)8-7-10-14(15,4)5/h8,12H,7,9-11H2,1-6H3/t15-/m1/s1.
What are the key properties of (6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene?
(6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene has a molecular weight of 208.39 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,5,5,6-tetramethyl-6-(3-methylbutyl)cyclohexene is sourced from PubChem (CID 162868046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).