(5R)-5-tert-butyl-2-methylcyclohexen-1-ol

C11H20O — CID 135082030

IUPAC(5R)-5-tert-butyl-2-methylcyclohexen-1-ol
SMILESCC1=C(O)C[C@H](C(C)(C)C)CC1
InChIInChI=1S/C11H20O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h9,12H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyLISUAITXJUPUHW-SECBINFHSA-N
MW168.28 g/mol
LogP3.66
Rot. Bonds

About (5R)-5-tert-butyl-2-methylcyclohexen-1-ol

(5R)-5-tert-butyl-2-methylcyclohexen-1-ol (PubChem CID 135082030) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (5R)-5-tert-butyl-2-methylcyclohexen-1-ol.

Molecular Properties

Compound Name(5R)-5-tert-butyl-2-methylcyclohexen-1-ol
PubChem CID135082030
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(5R)-5-tert-butyl-2-methylcyclohexen-1-ol
SMILESCC1=C(O)C[C@H](C(C)(C)C)CC1
InChIInChI=1S/C11H20O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h9,12H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyLISUAITXJUPUHW-SECBINFHSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

lithium (5R)-5-tert-butyl-2-methylcyclohexen-1-olate
CID 135082029
4-tert-butyl-2-[(1Z)-2,3-dimethylbuta-1,3-dienyl]-1-methylcyclohexene
CID 155725642
5-tert-butyl-2,3,4,5,6,7-hexahydro-1H-inden-1-ol
CID 130128613
4-tert-butyl-2-methyl-1-(3-methylbutan-2-yl)cyclohexene
CID 91362979
(2Z)-4-tert-butyl-2-(hydroxymethylidene)cyclohexan-1-one
CID 70548170
(2E)-5-tert-butyl-2-hydroxyiminocyclohexan-1-one
CID 10702610
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 158199396
4-tert-butylcyclohexan-1-one
CID 7392
CID 171375076
CID 171375076
5-tert-butyl-2-methylidenecyclohexan-1-one;ethene
CID 170948504
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 165463449
(1S)-1-tert-butyl-3-methylidenecyclohexane
CID 161355600

Frequently Asked Questions

What is the IUPAC name of (5R)-5-tert-butyl-2-methylcyclohexen-1-ol?
The IUPAC name of (5R)-5-tert-butyl-2-methylcyclohexen-1-ol (CID 135082030) is (5R)-5-tert-butyl-2-methylcyclohexen-1-ol.
What is the SMILES notation for (5R)-5-tert-butyl-2-methylcyclohexen-1-ol?
The canonical SMILES for (5R)-5-tert-butyl-2-methylcyclohexen-1-ol is CC1=C(O)C[C@H](C(C)(C)C)CC1.
What is the InChIKey of (5R)-5-tert-butyl-2-methylcyclohexen-1-ol?
The InChIKey is LISUAITXJUPUHW-SECBINFHSA-N. The full InChI is InChI=1S/C11H20O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h9,12H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (5R)-5-tert-butyl-2-methylcyclohexen-1-ol?
(5R)-5-tert-butyl-2-methylcyclohexen-1-ol has a molecular weight of 168.28 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-tert-butyl-2-methylcyclohexen-1-ol is sourced from PubChem (CID 135082030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).