(1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol

C9H14O2 — CID 129321679

IUPAC(1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol
SMILESC=CC1=C[C@H](O)C[C@](C)(O)C1
InChIInChI=1S/C9H14O2/c1-3-7-4-8(10)6-9(2,11)5-7/h3-4,8,10-11H,1,5-6H2,2H3/t8-,9+/m0/s1
InChIKeyYYVUSFIKLGPIHT-DTWKUNHWSA-N
MW154.21 g/mol
LogP1.00
Rot. Bonds1

About (1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol

(1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol (PubChem CID 129321679) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol.

Molecular Properties

Compound Name(1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol
PubChem CID129321679
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol
SMILESC=CC1=C[C@H](O)C[C@](C)(O)C1
InChIInChI=1S/C9H14O2/c1-3-7-4-8(10)6-9(2,11)5-7/h3-4,8,10-11H,1,5-6H2,2H3/t8-,9+/m0/s1
InChIKeyYYVUSFIKLGPIHT-DTWKUNHWSA-N
XLogP1.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
(-)-trans-Isopiperitenol
CID 439410
All-trans-4-hydroxyretinol
CID 6080476
(1R,6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11579163
4-(3-Hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol
CID 5352752
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethenyl)-, (1R,6R)-
CID 12311192
3-Hydroxy-beta-ionol
CID 14565843
5-Methylidene-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 32054
Retin-3,15-diol
CID 6505649
1-[(1E,3Z)-5-hydroxy-3-methylpenta-1,3-dienyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 118721178
(1S,3S,4Z,6E,10E,13E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-4,6,10,13-tetraene-1,3-diol
CID 14336533
all-trans-3R-hydroxyretinol
CID 22797834

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol?
The IUPAC name of (1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol (CID 129321679) is (1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol.
What is the SMILES notation for (1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol?
The canonical SMILES for (1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol is C=CC1=C[C@H](O)C[C@](C)(O)C1.
What is the InChIKey of (1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol?
The InChIKey is YYVUSFIKLGPIHT-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-7-4-8(10)6-9(2,11)5-7/h3-4,8,10-11H,1,5-6H2,2H3/t8-,9+/m0/s1.
What are the key properties of (1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol?
(1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol has a molecular weight of 154.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-5-ethenyl-1-methylcyclohex-4-ene-1,3-diol is sourced from PubChem (CID 129321679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).