(1S,2R,3S)-3-methoxycyclopentane-1,2-diol

C6H12O3 — CID 130972133

IUPAC(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
SMILESCO[C@H]1CC[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O3/c1-9-5-3-2-4(7)6(5)8/h4-8H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKeyBJESJPHVNCJGKQ-HCWXCVPCSA-N
MW132.16 g/mol
LogP-0.48
Rot. Bonds1

About (1S,2R,3S)-3-methoxycyclopentane-1,2-diol

(1S,2R,3S)-3-methoxycyclopentane-1,2-diol (PubChem CID 130972133) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (1S,2R,3S)-3-methoxycyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
PubChem CID130972133
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(1S,2R,3S)-3-methoxycyclopentane-1,2-diol
SMILESCO[C@H]1CC[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O3/c1-9-5-3-2-4(7)6(5)8/h4-8H,2-3H2,1H3/t4-,5-,6+/m0/s1
InChIKeyBJESJPHVNCJGKQ-HCWXCVPCSA-N
XLogP-0.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxycyclohexane-1,2,3-triol
CID 54277163
(1R,2S,3S,4S)-2-(dimethylamino)-4-methoxycyclohexane-1,3-diol
CID 23266363
(1R,2R,3S)-3-methoxycyclobutane-1,2-diol
CID 22814752
(1R,2R,3R)-3-aminooxycyclopentane-1,2-diol;hydrochloride
CID 155819857
cyclohexane-1,2,3,4-tetrol;methanol
CID 70613200
2-methoxy-6-propan-2-ylcyclohexan-1-ol
CID 140573404
(1R,2S,3R,4R)-cyclohexane-1,2,3,4-tetrol
CID 10176209
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
(1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol
CID 118186347
(1S,2S,6S)-2-chloro-6-methoxycyclohexan-1-ol
CID 130847345
(1S,2S,6S)-2-bromo-6-methoxycyclohexan-1-ol
CID 130865880
ethane;2-methoxycyclopentan-1-ol
CID 177178786

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-3-methoxycyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3S)-3-methoxycyclopentane-1,2-diol (CID 130972133) is (1S,2R,3S)-3-methoxycyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3S)-3-methoxycyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3S)-3-methoxycyclopentane-1,2-diol is CO[C@H]1CC[C@H](O)[C@H]1O.
What is the InChIKey of (1S,2R,3S)-3-methoxycyclopentane-1,2-diol?
The InChIKey is BJESJPHVNCJGKQ-HCWXCVPCSA-N. The full InChI is InChI=1S/C6H12O3/c1-9-5-3-2-4(7)6(5)8/h4-8H,2-3H2,1H3/t4-,5-,6+/m0/s1.
What are the key properties of (1S,2R,3S)-3-methoxycyclopentane-1,2-diol?
(1S,2R,3S)-3-methoxycyclopentane-1,2-diol has a molecular weight of 132.16 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-3-methoxycyclopentane-1,2-diol is sourced from PubChem (CID 130972133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).