(1S)-6-tert-butylcyclohex-2-en-1-ol

C10H18O — CID 102352565

IUPAC(1S)-6-tert-butylcyclohex-2-en-1-ol
SMILESCC(C)(C)C1CCC=C[C@@H]1O
InChIInChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h5,7-9,11H,4,6H2,1-3H3/t8?,9-/m0/s1
InChIKeyXMRZEJXQJFBEBY-GKAPJAKFSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds

About (1S)-6-tert-butylcyclohex-2-en-1-ol

(1S)-6-tert-butylcyclohex-2-en-1-ol (PubChem CID 102352565) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S)-6-tert-butylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-6-tert-butylcyclohex-2-en-1-ol
PubChem CID102352565
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S)-6-tert-butylcyclohex-2-en-1-ol
SMILESCC(C)(C)C1CCC=C[C@@H]1O
InChIInChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h5,7-9,11H,4,6H2,1-3H3/t8?,9-/m0/s1
InChIKeyXMRZEJXQJFBEBY-GKAPJAKFSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,6R)-6-aminocyclohex-2-en-1-ol
CID 55284350
(1S)-cyclopent-2-en-1-ol
CID 11789128
2-(2-propan-2-ylcyclohex-3-en-1-yl)propan-2-ol
CID 126624394
6-ethenylcyclohex-2-en-1-ol
CID 13203961
actinium;2-hydroxycyclohex-3-ene-1-carbaldehyde
CID 18720250
6-[(E)-2-methoxyethenyl]cyclohex-2-en-1-ol
CID 130127413
(3R)-3-tert-butylcyclohexene
CID 12523764
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
3-cyclopent-2-en-1-yl-3-methylbutan-2-one
CID 13127866
2-methylbutan-2-ol;3-methylcyclopentene
CID 145265973
3-tert-butylcyclobutane-1,2-diol
CID 12791413
(3S)-3-methylcyclopentene
CID 11018803

Frequently Asked Questions

What is the IUPAC name of (1S)-6-tert-butylcyclohex-2-en-1-ol?
The IUPAC name of (1S)-6-tert-butylcyclohex-2-en-1-ol (CID 102352565) is (1S)-6-tert-butylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-6-tert-butylcyclohex-2-en-1-ol?
The canonical SMILES for (1S)-6-tert-butylcyclohex-2-en-1-ol is CC(C)(C)C1CCC=C[C@@H]1O.
What is the InChIKey of (1S)-6-tert-butylcyclohex-2-en-1-ol?
The InChIKey is XMRZEJXQJFBEBY-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h5,7-9,11H,4,6H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (1S)-6-tert-butylcyclohex-2-en-1-ol?
(1S)-6-tert-butylcyclohex-2-en-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-tert-butylcyclohex-2-en-1-ol is sourced from PubChem (CID 102352565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).