(5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol

C8H14O3 — CID 10583053

IUPAC(5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol
SMILESOC[C@@H]1CC=CC(O)[C@H]1CO
InChIInChI=1S/C8H14O3/c9-4-6-2-1-3-8(11)7(6)5-10/h1,3,6-11H,2,4-5H2/t6-,7-,8?/m0/s1
InChIKeyRHXWHNFCXFETCB-WPZUCAASSA-N
MW158.20 g/mol
LogP-0.48
Rot. Bonds2

About (5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol

(5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol (PubChem CID 10583053) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol
PubChem CID10583053
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol
SMILESOC[C@@H]1CC=CC(O)[C@H]1CO
InChIInChI=1S/C8H14O3/c9-4-6-2-1-3-8(11)7(6)5-10/h1,3,6-11H,2,4-5H2/t6-,7-,8?/m0/s1
InChIKeyRHXWHNFCXFETCB-WPZUCAASSA-N
XLogP-0.48
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-diethylcyclohex-2-en-1-ol
CID 91278054
[(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol
CID 129405394
[(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol
CID 55303042
6-(2-hydroxyethyl)cyclohex-3-en-1-ol
CID 130142627
2,3,4-tris(hydroxymethyl)cyclohexan-1-ol
CID 175425260
[(3aR,4R,7aR)-2,3,3a,4,5,7a-hexahydro-1H-isoindol-4-yl]methanol
CID 54133952
6-bicyclo[3.2.1]oct-2-enylmethanol
CID 130151844
2,3,4,5-tetrakis(hydroxymethyl)cycloheptan-1-ol
CID 22483587
[(1S,2R,3R,4S)-2,3,4-tris(hydroxymethyl)cyclopentyl]methanol
CID 131848681
5-methylcyclopent-2-en-1-ol
CID 23103323
[9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
CID 15508536
(2R)-2-(hydroxymethyl)-4-(methylamino)cyclopentan-1-ol
CID 59891072

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol?
The IUPAC name of (5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol (CID 10583053) is (5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for (5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol?
The canonical SMILES for (5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol is OC[C@@H]1CC=CC(O)[C@H]1CO.
What is the InChIKey of (5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol?
The InChIKey is RHXWHNFCXFETCB-WPZUCAASSA-N. The full InChI is InChI=1S/C8H14O3/c9-4-6-2-1-3-8(11)7(6)5-10/h1,3,6-11H,2,4-5H2/t6-,7-,8?/m0/s1.
What are the key properties of (5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol?
(5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol has a molecular weight of 158.20 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 10583053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).