(6R)-6-tert-butyl-3,3-dimethylcyclohexene

C12H22 — CID 59592096

IUPAC(6R)-6-tert-butyl-3,3-dimethylcyclohexene
SMILESCC1(C)C=C[C@H](C(C)(C)C)CC1
InChIInChI=1S/C12H22/c1-11(2,3)10-6-8-12(4,5)9-7-10/h6,8,10H,7,9H2,1-5H3/t10-/m0/s1
InChIKeyRWRUFXHXNCSNAC-JTQLQIEISA-N
MW166.31 g/mol
LogP4.02
Rot. Bonds

About (6R)-6-tert-butyl-3,3-dimethylcyclohexene

(6R)-6-tert-butyl-3,3-dimethylcyclohexene (PubChem CID 59592096) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (6R)-6-tert-butyl-3,3-dimethylcyclohexene.

Molecular Properties

Compound Name(6R)-6-tert-butyl-3,3-dimethylcyclohexene
PubChem CID59592096
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(6R)-6-tert-butyl-3,3-dimethylcyclohexene
SMILESCC1(C)C=C[C@H](C(C)(C)C)CC1
InChIInChI=1S/C12H22/c1-11(2,3)10-6-8-12(4,5)9-7-10/h6,8,10H,7,9H2,1-5H3/t10-/m0/s1
InChIKeyRWRUFXHXNCSNAC-JTQLQIEISA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.02
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

2-(4,4-dimethylcyclohex-2-en-1-yl)-1,3-dithian-2-ol
CID 577135
(3R)-3-tert-butylcyclohexene
CID 12523764
6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene
CID 167650322
4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol
CID 20767220
5-(2-hydroxypropan-2-yl)-2-methylcyclohex-3-ene-1,2-diol
CID 130152102
(1R,4R)-4-(2-acetamidopropan-2-yl)-1-methylcyclohex-2-ene-1-sulfonic acid
CID 134846460
3,3,6-trimethyl(1,2-13C2)cycloheptene
CID 101032290
3-tert-butyl-1,1,2-trimethylcyclopentane
CID 123786116
(1R,4S)-4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol
CID 173306600
4-tert-butyl-1-dimethylsilyloxycyclopent-2-en-1-ol
CID 173446706
3-tert-butyl-1,1-dimethylcyclobutane;1,1,4,4-tetramethylcyclohexane
CID 158072169
cis-(1S,2S)-2-tert-butyl-5,5-dimethylcyclohexan-1-ol
CID 131133876

Frequently Asked Questions

What is the IUPAC name of (6R)-6-tert-butyl-3,3-dimethylcyclohexene?
The IUPAC name of (6R)-6-tert-butyl-3,3-dimethylcyclohexene (CID 59592096) is (6R)-6-tert-butyl-3,3-dimethylcyclohexene.
What is the SMILES notation for (6R)-6-tert-butyl-3,3-dimethylcyclohexene?
The canonical SMILES for (6R)-6-tert-butyl-3,3-dimethylcyclohexene is CC1(C)C=C[C@H](C(C)(C)C)CC1.
What is the InChIKey of (6R)-6-tert-butyl-3,3-dimethylcyclohexene?
The InChIKey is RWRUFXHXNCSNAC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22/c1-11(2,3)10-6-8-12(4,5)9-7-10/h6,8,10H,7,9H2,1-5H3/t10-/m0/s1.
What are the key properties of (6R)-6-tert-butyl-3,3-dimethylcyclohexene?
(6R)-6-tert-butyl-3,3-dimethylcyclohexene has a molecular weight of 166.31 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-tert-butyl-3,3-dimethylcyclohexene is sourced from PubChem (CID 59592096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).