cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol

C6H12O3 — CID 11137206

IUPACcis-(1R,3S)-2-methylcyclopentane-1,2,3-triol
SMILESCC1(O)[C@H](O)CC[C@@H]1O
InChIInChI=1S/C6H12O3/c1-6(9)4(7)2-3-5(6)8/h4-5,7-9H,2-3H2,1H3/t4-,5+,6?
InChIKeyVTDKJKUKALZPAM-XEAPYIEGSA-N
MW132.16 g/mol
LogP-0.75
Rot. Bonds

About cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol

cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol (PubChem CID 11137206) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol.

Molecular Properties

Compound Namecis-(1R,3S)-2-methylcyclopentane-1,2,3-triol
PubChem CID11137206
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Namecis-(1R,3S)-2-methylcyclopentane-1,2,3-triol
SMILESCC1(O)[C@H](O)CC[C@@H]1O
InChIInChI=1S/C6H12O3/c1-6(9)4(7)2-3-5(6)8/h4-5,7-9H,2-3H2,1H3/t4-,5+,6?
InChIKeyVTDKJKUKALZPAM-XEAPYIEGSA-N
XLogP-0.75
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol?
The IUPAC name of cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol (CID 11137206) is cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol.
What is the SMILES notation for cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol?
The canonical SMILES for cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol is CC1(O)[C@H](O)CC[C@@H]1O.
What is the InChIKey of cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol?
The InChIKey is VTDKJKUKALZPAM-XEAPYIEGSA-N. The full InChI is InChI=1S/C6H12O3/c1-6(9)4(7)2-3-5(6)8/h4-5,7-9H,2-3H2,1H3/t4-,5+,6?.
What are the key properties of cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol?
cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol has a molecular weight of 132.16 g/mol, XLogP of -0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-2-methylcyclopentane-1,2,3-triol is sourced from PubChem (CID 11137206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).