(1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol

C10H20O3 — CID 10750128

IUPAC(1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol
SMILESCC(CO)[C@@H]1C[C@H](O)[C@@H](C)[C@H]1CO
InChIInChI=1S/C10H20O3/c1-6(4-11)8-3-10(13)7(2)9(8)5-12/h6-13H,3-5H2,1-2H3/t6?,7-,8-,9+,10-/m0/s1
InChIKeyPHLQHCSONGUUIU-RXAGQUSBSA-N
MW188.27 g/mol
LogP0.24
Rot. Bonds3

About (1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol

(1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol (PubChem CID 10750128) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol
PubChem CID10750128
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol
SMILESCC(CO)[C@@H]1C[C@H](O)[C@@H](C)[C@H]1CO
InChIInChI=1S/C10H20O3/c1-6(4-11)8-3-10(13)7(2)9(8)5-12/h6-13H,3-5H2,1-2H3/t6?,7-,8-,9+,10-/m0/s1
InChIKeyPHLQHCSONGUUIU-RXAGQUSBSA-N
XLogP0.24
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol?
The IUPAC name of (1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol (CID 10750128) is (1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for (1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol?
The canonical SMILES for (1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol is CC(CO)[C@@H]1C[C@H](O)[C@@H](C)[C@H]1CO.
What is the InChIKey of (1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol?
The InChIKey is PHLQHCSONGUUIU-RXAGQUSBSA-N. The full InChI is InChI=1S/C10H20O3/c1-6(4-11)8-3-10(13)7(2)9(8)5-12/h6-13H,3-5H2,1-2H3/t6?,7-,8-,9+,10-/m0/s1.
What are the key properties of (1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol?
(1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4S)-3-(hydroxymethyl)-4-(1-hydroxypropan-2-yl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 10750128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).