(6S)-1,5,5,6-tetramethylcyclohexene

C10H18 — CID 11768696

IUPAC(6S)-1,5,5,6-tetramethylcyclohexene
SMILESCC1=CCCC(C)(C)[C@@H]1C
InChIInChI=1S/C10H18/c1-8-6-5-7-10(3,4)9(8)2/h6,9H,5,7H2,1-4H3/t9-/m1/s1
InChIKeyYYCKFNKCDOJUSP-SECBINFHSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds

About (6S)-1,5,5,6-tetramethylcyclohexene

(6S)-1,5,5,6-tetramethylcyclohexene (PubChem CID 11768696) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (6S)-1,5,5,6-tetramethylcyclohexene.

Molecular Properties

Compound Name(6S)-1,5,5,6-tetramethylcyclohexene
PubChem CID11768696
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(6S)-1,5,5,6-tetramethylcyclohexene
SMILESCC1=CCCC(C)(C)[C@@H]1C
InChIInChI=1S/C10H18/c1-8-6-5-7-10(3,4)9(8)2/h6,9H,5,7H2,1-4H3/t9-/m1/s1
InChIKeyYYCKFNKCDOJUSP-SECBINFHSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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

3-chloro-2-methylbut-1-ene;2-methylbuta-1,3-diene;1,5,5,6-tetramethylcyclohexene
CID 143426425
6-ethyl-1,5,5-trimethylcyclohexene
CID 143426424
1-(bromomethyl)-5,5,6-trimethylcyclohexene
CID 130003824
[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methanethiol
CID 3085622
2,6,6-trimethylcyclohex-2-ene-1-carbothioate
CID 19867145
N-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)methanimine
CID 143323976
2,6,6-trimethylcyclohex-2-ene-1-carbonyl chloride
CID 14042479
6-butyl-1,5,5-trimethylcyclohexene
CID 15402298
1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium
CID 76764090
3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol
CID 10655039
6-[(E)-but-1-enyl]-1,5,5-trimethylcyclohexene
CID 13329038
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-ene-2-thiol
CID 21388154

Frequently Asked Questions

What is the IUPAC name of (6S)-1,5,5,6-tetramethylcyclohexene?
The IUPAC name of (6S)-1,5,5,6-tetramethylcyclohexene (CID 11768696) is (6S)-1,5,5,6-tetramethylcyclohexene.
What is the SMILES notation for (6S)-1,5,5,6-tetramethylcyclohexene?
The canonical SMILES for (6S)-1,5,5,6-tetramethylcyclohexene is CC1=CCCC(C)(C)[C@@H]1C.
What is the InChIKey of (6S)-1,5,5,6-tetramethylcyclohexene?
The InChIKey is YYCKFNKCDOJUSP-SECBINFHSA-N. The full InChI is InChI=1S/C10H18/c1-8-6-5-7-10(3,4)9(8)2/h6,9H,5,7H2,1-4H3/t9-/m1/s1.
What are the key properties of (6S)-1,5,5,6-tetramethylcyclohexene?
(6S)-1,5,5,6-tetramethylcyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 0 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-tetramethylcyclohexene is sourced from PubChem (CID 11768696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).