2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol

C10H20O2 — CID 15560395

IUPAC2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol
SMILESCC(CO)[C@H]1CC[C@H](C)[C@H]1CO
InChIInChI=1S/C10H20O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h7-12H,3-6H2,1-2H3/t7-,8?,9+,10+/m0/s1
InChIKeyMZPIHWYCJUPOFB-NKSXPTFNSA-N
MW172.27 g/mol
LogP1.27
Rot. Bonds3

About 2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol

2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol (PubChem CID 15560395) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol.

Molecular Properties

Compound Name2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol
PubChem CID15560395
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol
SMILESCC(CO)[C@H]1CC[C@H](C)[C@H]1CO
InChIInChI=1S/C10H20O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h7-12H,3-6H2,1-2H3/t7-,8?,9+,10+/m0/s1
InChIKeyMZPIHWYCJUPOFB-NKSXPTFNSA-N
XLogP1.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 545941
CID 545941
CID 91697630
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CID 101710
CID 101710
CID 7054244
CID 7054244
CID 22134208
CID 22134208
CID 146742084
CID 146742084
CID 53483796
CID 53483796
CID 139584626
CID 139584626
CID 146682956
CID 146682956
CID 163064650
CID 163064650
CID 7053987
CID 7053987
CID 55267834
CID 55267834

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol?
The IUPAC name of 2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol (CID 15560395) is 2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol.
What is the SMILES notation for 2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol?
The canonical SMILES for 2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol is CC(CO)[C@H]1CC[C@H](C)[C@H]1CO.
What is the InChIKey of 2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol?
The InChIKey is MZPIHWYCJUPOFB-NKSXPTFNSA-N. The full InChI is InChI=1S/C10H20O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h7-12H,3-6H2,1-2H3/t7-,8?,9+,10+/m0/s1.
What are the key properties of 2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol?
2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3S)-2-(hydroxymethyl)-3-methylcyclopentyl]propan-1-ol is sourced from PubChem (CID 15560395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).