3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol

C9H18O4 — CID 57142467

IUPAC3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol
SMILESOCC(O)CO[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H18O4/c10-5-7(11)6-13-9-4-2-1-3-8(9)12/h7-12H,1-6H2/t7?,8-,9-/m1/s1
InChIKeyXZULXSLBZRPDAX-CFCGPWAMSA-N
MW190.24 g/mol
LogP-0.34
Rot. Bonds4

About 3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol

3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol (PubChem CID 57142467) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol
PubChem CID57142467
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol
SMILESOCC(O)CO[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C9H18O4/c10-5-7(11)6-13-9-4-2-1-3-8(9)12/h7-12H,1-6H2/t7?,8-,9-/m1/s1
InChIKeyXZULXSLBZRPDAX-CFCGPWAMSA-N
XLogP-0.34
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethoxy)cyclohexan-1-ol
CID 67785185
3-(4-hydroxycyclohexyl)oxypropane-1,2-diol
CID 21393261
2-(2-methylpentoxy)cyclododecan-1-ol
CID 103284744
cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol
CID 10891991
2-ethoxycyclooctan-1-ol
CID 18953000
2-(cyclohexylmethoxy)cyclohexan-1-ol
CID 62383231
2-(cyclopentylmethoxy)cycloheptan-1-ol
CID 66324580
(2R)-1-[(1S,2S)-2-tert-butylcyclohexyl]oxybutan-2-ol
CID 76965476
2-(2,3-dihydroxypropoxy)oxane-3,4,5-triol
CID 20512830
trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
CID 11205806
(2R)-3-[(3R)-pyrrolidin-3-yl]oxypropane-1,2-diol
CID 141146160
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol?
The IUPAC name of 3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol (CID 57142467) is 3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol?
The canonical SMILES for 3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol is OCC(O)CO[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol?
The InChIKey is XZULXSLBZRPDAX-CFCGPWAMSA-N. The full InChI is InChI=1S/C9H18O4/c10-5-7(11)6-13-9-4-2-1-3-8(9)12/h7-12H,1-6H2/t7?,8-,9-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol?
3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol has a molecular weight of 190.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-hydroxycyclohexyl]oxypropane-1,2-diol is sourced from PubChem (CID 57142467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).