(1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane

C10H24OS2 — CID 159744977

IUPAC(1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane
SMILESCC[C@@H](O)[C@H]1CCC(C)(C)C1.S.S
InChIInChI=1S/C10H20O.2H2S/c1-4-9(11)8-5-6-10(2,3)7-8;;/h8-9,11H,4-7H2,1-3H3;2*1H2/t8-,9+;;/m0../s1
InChIKeyNCXUVDLJHLIUSO-DBEJOZALSA-N
MW224.43 g/mol
LogP2.81
Rot. Bonds2

About (1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane

(1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane (PubChem CID 159744977) has the molecular formula C10H24OS2 and a molecular weight of 224.43 g/mol. Its IUPAC name is (1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane.

Molecular Properties

Compound Name(1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane
PubChem CID159744977
Molecular FormulaC10H24OS2
Molecular Weight224.43 g/mol
Exact Mass224.13
IUPAC Name(1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane
SMILESCC[C@@H](O)[C@H]1CCC(C)(C)C1.S.S
InChIInChI=1S/C10H20O.2H2S/c1-4-9(11)8-5-6-10(2,3)7-8;;/h8-9,11H,4-7H2,1-3H3;2*1H2/t8-,9+;;/m0../s1
InChIKeyNCXUVDLJHLIUSO-DBEJOZALSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
3-(1-chloropropyl)-1,1-dimethylcyclohexane
CID 79307494
1-(4,4-dimethylcyclohexyl)pent-3-yn-1-ol
CID 65391400
(1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol
CID 177218986
1-(4-aminocyclohexyl)propan-1-ol
CID 89389818
(R)-(4-amino-3,5-difluorophenyl)-[(1S)-3,3-dimethylcyclopentyl]methanol;hydrochloride
CID 164980358
5,5-dimethyl-2-(2-methylpropyl)cyclohexan-1-ol
CID 134223783
2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 66287773
(1R)-1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]propan-1-ol
CID 159001079
1-(3-methylcyclopentyl)propan-1-ol
CID 65400346
(1R)-1-(thietan-3-yl)propan-1-ol
CID 96732659
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanol
CID 83174876

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane?
The IUPAC name of (1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane (CID 159744977) is (1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane.
What is the SMILES notation for (1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane?
The canonical SMILES for (1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane is CC[C@@H](O)[C@H]1CCC(C)(C)C1.S.S.
What is the InChIKey of (1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane?
The InChIKey is NCXUVDLJHLIUSO-DBEJOZALSA-N. The full InChI is InChI=1S/C10H20O.2H2S/c1-4-9(11)8-5-6-10(2,3)7-8;;/h8-9,11H,4-7H2,1-3H3;2*1H2/t8-,9+;;/m0../s1.
What are the key properties of (1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane?
(1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane has a molecular weight of 224.43 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S)-3,3-dimethylcyclopentyl]propan-1-ol;sulfane is sourced from PubChem (CID 159744977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).