(1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol

C11H22O3 — CID 90368841

IUPAC(1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol
SMILESCCC(O)(CC)[C@H]1C[C@@H](C)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22O3/c1-4-11(14,5-2)8-6-7(3)9(12)10(8)13/h7-10,12-14H,4-6H2,1-3H3/t7-,8+,9+,10-/m1/s1
InChIKeyOGINGDKOVOFBOT-XFWSIPNHSA-N
MW202.29 g/mol
LogP0.92
Rot. Bonds3

About (1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol

(1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol (PubChem CID 90368841) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol
PubChem CID90368841
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol
SMILESCCC(O)(CC)[C@H]1C[C@@H](C)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H22O3/c1-4-11(14,5-2)8-6-7(3)9(12)10(8)13/h7-10,12-14H,4-6H2,1-3H3/t7-,8+,9+,10-/m1/s1
InChIKeyOGINGDKOVOFBOT-XFWSIPNHSA-N
XLogP0.92
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol (CID 90368841) is (1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol is CCC(O)(CC)[C@H]1C[C@@H](C)[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol?
The InChIKey is OGINGDKOVOFBOT-XFWSIPNHSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-11(14,5-2)8-6-7(3)9(12)10(8)13/h7-10,12-14H,4-6H2,1-3H3/t7-,8+,9+,10-/m1/s1.
What are the key properties of (1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol?
(1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol has a molecular weight of 202.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5R)-3-(3-hydroxypentan-3-yl)-5-methylcyclopentane-1,2-diol is sourced from PubChem (CID 90368841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).