(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol

C10H20O — CID 10261332

IUPAC(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@@H]1C[C@H](C)[C@@](C)(O)C1
InChIInChI=1S/C10H20O/c1-7(2)9-5-8(3)10(4,11)6-9/h7-9,11H,5-6H2,1-4H3/t8-,9+,10-/m0/s1
InChIKeySZDOCHYAQZSVCT-AEJSXWLSSA-N
MW156.27 g/mol
LogP2.44
Rot. Bonds1

About (1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol

(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol (PubChem CID 10261332) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
PubChem CID10261332
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@@H]1C[C@H](C)[C@@](C)(O)C1
InChIInChI=1S/C10H20O/c1-7(2)9-5-8(3)10(4,11)6-9/h7-9,11H,5-6H2,1-4H3/t8-,9+,10-/m0/s1
InChIKeySZDOCHYAQZSVCT-AEJSXWLSSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol (CID 10261332) is (1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol is CC(C)[C@@H]1C[C@H](C)[C@@](C)(O)C1.
What is the InChIKey of (1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol?
The InChIKey is SZDOCHYAQZSVCT-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H20O/c1-7(2)9-5-8(3)10(4,11)6-9/h7-9,11H,5-6H2,1-4H3/t8-,9+,10-/m0/s1.
What are the key properties of (1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol?
(1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-1,2-dimethyl-4-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 10261332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).