(1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol

C8H14O3 — CID 131155270

IUPAC(1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol
SMILESCC1=C[C@@H](CO)[C@H](O)CC1O
InChIInChI=1S/C8H14O3/c1-5-2-6(4-9)8(11)3-7(5)10/h2,6-11H,3-4H2,1H3/t6-,7?,8+/m0/s1
InChIKeyYRPZSNVGTDWSON-YPVSKDHRSA-N
MW158.20 g/mol
LogP-0.33
Rot. Bonds1

About (1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol

(1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol (PubChem CID 131155270) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol.

Molecular Properties

Compound Name(1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol
PubChem CID131155270
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol
SMILESCC1=C[C@@H](CO)[C@H](O)CC1O
InChIInChI=1S/C8H14O3/c1-5-2-6(4-9)8(11)3-7(5)10/h2,6-11H,3-4H2,1H3/t6-,7?,8+/m0/s1
InChIKeyYRPZSNVGTDWSON-YPVSKDHRSA-N
XLogP-0.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 91131959
CID 91131959
(1R,3S,6R)-4-methylbicyclo[4.1.0]hept-4-en-3-ol
CID 23260985
(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol
CID 124556662
(1S,4R,5R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-ol
CID 11033877
1-(1-hydroxypropan-2-yl)-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol
CID 162972846
(2,4,6-trimethylcyclohex-2-en-1-yl)methanol
CID 175543793
(3aR,5S,7aS)-5-hydroxy-6-methyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one
CID 10583223
(3aR,5S,7aS)-5-hydroxy-3,6-dimethyl-3a,4,5,7a-tetrahydro-3H-1-benzofuran-2-one
CID 131067489
(2R)-2-[(1S,4aR,6R,8aS)-6-hydroxy-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl]propanoic acid
CID 139585780
(6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 167136179
3,5-dimethylcyclohex-3-ene-1,2-diol
CID 85423702
(4S)-2-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950006

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol?
The IUPAC name of (1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol (CID 131155270) is (1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol.
What is the SMILES notation for (1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol?
The canonical SMILES for (1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol is CC1=C[C@@H](CO)[C@H](O)CC1O.
What is the InChIKey of (1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol?
The InChIKey is YRPZSNVGTDWSON-YPVSKDHRSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-2-6(4-9)8(11)3-7(5)10/h2,6-11H,3-4H2,1H3/t6-,7?,8+/m0/s1.
What are the key properties of (1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol?
(1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol has a molecular weight of 158.20 g/mol, XLogP of -0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol is sourced from PubChem (CID 131155270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).