cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol

C6H12O — CID 171581975

IUPACcis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol
SMILES[2H]C1([2H])C[C@@H](C)[C@@H](O)C1
InChIInChI=1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m1/s1/i2D2
InChIKeyBVIJQMCYYASIFP-QHLOMELNSA-N
MW102.17 g/mol
LogP1.17
Rot. Bonds

About cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol

cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol (PubChem CID 171581975) has the molecular formula C6H12O and a molecular weight of 102.17 g/mol. Its IUPAC name is cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol
PubChem CID171581975
Molecular FormulaC6H12O
Molecular Weight102.17 g/mol
Exact Mass102.10
IUPAC Namecis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol
SMILES[2H]C1([2H])C[C@@H](C)[C@@H](O)C1
InChIInChI=1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m1/s1/i2D2
InChIKeyBVIJQMCYYASIFP-QHLOMELNSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
2-methylcyclododecan-1-ol
CID 13130078
ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109
ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
CID 143642035
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol
CID 7168625
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
acetic acid;2-methylcyclopentan-1-ol
CID 71356720
(1S)-2,4-dimethylcyclohexan-1-ol
CID 143035345
(1S,2S,4S)-2,4-dimethylcyclohexan-1-ol
CID 12779508
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol?
The IUPAC name of cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol (CID 171581975) is cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol?
The canonical SMILES for cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol is [2H]C1([2H])C[C@@H](C)[C@@H](O)C1.
What is the InChIKey of cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol?
The InChIKey is BVIJQMCYYASIFP-QHLOMELNSA-N. The full InChI is InChI=1S/C6H12O/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6+/m1/s1/i2D2.
What are the key properties of cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol?
cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol has a molecular weight of 102.17 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol is sourced from PubChem (CID 171581975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).