(2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol

C12H20O3 — CID 15362630

IUPAC(2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol
SMILESCC(=C=CC1(O)CCCCC1)[C@@H](O)CO
InChIInChI=1S/C12H20O3/c1-10(11(14)9-13)5-8-12(15)6-3-2-4-7-12/h8,11,13-15H,2-4,6-7,9H2,1H3/t5?,11-/m0/s1
InChIKeyWIWWXWOOQQEWEW-ZOHDFZEYSA-N
MW212.29 g/mol
LogP1.14
Rot. Bonds3

About (2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol

(2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol (PubChem CID 15362630) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol.

Molecular Properties

Compound Name(2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol
PubChem CID15362630
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol
SMILESCC(=C=CC1(O)CCCCC1)[C@@H](O)CO
InChIInChI=1S/C12H20O3/c1-10(11(14)9-13)5-8-12(15)6-3-2-4-7-12/h8,11,13-15H,2-4,6-7,9H2,1H3/t5?,11-/m0/s1
InChIKeyWIWWXWOOQQEWEW-ZOHDFZEYSA-N
XLogP1.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-propa-1,2-dienylcyclopentan-1-ol
CID 11344016
(1-hydroxycyclopentyl) 2,3-dihydroxypropanoate
CID 141047311
1-[(E)-prop-1-enyl]cycloundecan-1-ol
CID 134894684
1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol
CID 15445552
1-(3,4-dimethylpenta-1,2-dienyl)-1-ethynylcyclopropane
CID 125478662
1-hydroxycyclooctane-1-carbaldehyde
CID 130025311
1-[1-(1-hydroxyethyl)cyclohexyl]ethanol
CID 19424468
(2R)-4-(1-hydroxycyclohexyl)butane-1,2-diol
CID 102425683
(1-propa-1,2-dienylcyclooctyl) acetate
CID 102074040
1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
CID 104582555
1-[1-(hydroxymethyl)cyclohexyl]ethane-1,2-diol
CID 157065272
1-[(E)-3-chloroprop-1-enyl]cyclohexan-1-ol
CID 23339585

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol?
The IUPAC name of (2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol (CID 15362630) is (2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol.
What is the SMILES notation for (2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol?
The canonical SMILES for (2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol is CC(=C=CC1(O)CCCCC1)[C@@H](O)CO.
What is the InChIKey of (2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol?
The InChIKey is WIWWXWOOQQEWEW-ZOHDFZEYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(11(14)9-13)5-8-12(15)6-3-2-4-7-12/h8,11,13-15H,2-4,6-7,9H2,1H3/t5?,11-/m0/s1.
What are the key properties of (2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol?
(2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol has a molecular weight of 212.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(1-hydroxycyclohexyl)-3-methylpenta-3,4-diene-1,2-diol is sourced from PubChem (CID 15362630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).