(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol

C10H18OS — CID 130930746

IUPAC(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol
SMILESCC(C)(C)S[C@@H]1CC=CC[C@H]1O
InChIInChI=1S/C10H18OS/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-5,8-9,11H,6-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyLXKGDWAKIKRBJO-RKDXNWHRSA-N
MW186.32 g/mol
LogP2.60
Rot. Bonds1

About (1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol

(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol (PubChem CID 130930746) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol
PubChem CID130930746
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol
SMILESCC(C)(C)S[C@@H]1CC=CC[C@H]1O
InChIInChI=1S/C10H18OS/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-5,8-9,11H,6-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyLXKGDWAKIKRBJO-RKDXNWHRSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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7-Thiabicyclo[2.2.1]hept-5-en-2-ol
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7-Propylsulfanylhept-1-en-4-ol
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(2R)-1-(5-methyl-2,3-dihydrothiophen-2-yl)propan-2-ol
CID 67489260
(3S,4R,6Z)-3-cyclohexylsulfanyldodeca-1,6-dien-4-ol
CID 89340575
4-Methylsulfanylcyclohex-3-en-1-ol
CID 89484285
(4S)-7-propylsulfanylhept-2-en-4-ol
CID 91329442
1-Cyclopent-2-en-1-yl-2-[dimethyl(methyl)-lambda4-sulfanyl]ethanol
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CID 138723781

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol?
The IUPAC name of (1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol (CID 130930746) is (1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol.
What is the SMILES notation for (1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol?
The canonical SMILES for (1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol is CC(C)(C)S[C@@H]1CC=CC[C@H]1O.
What is the InChIKey of (1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol?
The InChIKey is LXKGDWAKIKRBJO-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18OS/c1-10(2,3)12-9-7-5-4-6-8(9)11/h4-5,8-9,11H,6-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol?
(1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol has a molecular weight of 186.32 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-tert-butylsulfanylcyclohex-3-en-1-ol is sourced from PubChem (CID 130930746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).