(3R)-4-methylpent-4-ene-1,3-diol

C6H12O2 — CID 13327315

IUPAC(3R)-4-methylpent-4-ene-1,3-diol
SMILESC=C(C)[C@H](O)CCO
InChIInChI=1S/C6H12O2/c1-5(2)6(8)3-4-7/h6-8H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyBZQZWOYZOVQJLT-ZCFIWIBFSA-N
MW116.16 g/mol
LogP0.31
Rot. Bonds3

About (3R)-4-methylpent-4-ene-1,3-diol

(3R)-4-methylpent-4-ene-1,3-diol (PubChem CID 13327315) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (3R)-4-methylpent-4-ene-1,3-diol.

Molecular Properties

Compound Name(3R)-4-methylpent-4-ene-1,3-diol
PubChem CID13327315
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(3R)-4-methylpent-4-ene-1,3-diol
SMILESC=C(C)[C@H](O)CCO
InChIInChI=1S/C6H12O2/c1-5(2)6(8)3-4-7/h6-8H,1,3-4H2,2H3/t6-/m1/s1
InChIKeyBZQZWOYZOVQJLT-ZCFIWIBFSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-penten-3-ol
CID 16399
5-Methyl-5-hexen-2-ol
CID 142714
2-Methyl-1-penten-3-OL, (R)-
CID 1549701
2-Methylenecyclopentanol
CID 550922
2-Methyl-1-hepten-3-ol
CID 518678
(2S,3R)-2,4-dimethylpent-4-ene-1,3-diol
CID 13129934
2-Ethenylidenepentan-1-ol
CID 86206046
2,6-Dimethyl-1,6-heptadien-3-ol
CID 10942525
2,4-Dimethylpenta-1,4-dien-3-ol
CID 11804709
2-Methylenepentanol
CID 12474173
4-Methyl-4,5-hexadien-3-ol
CID 12651497
4-Methylpent-4-ene-1,3-diol
CID 13327314

Frequently Asked Questions

What is the IUPAC name of (3R)-4-methylpent-4-ene-1,3-diol?
The IUPAC name of (3R)-4-methylpent-4-ene-1,3-diol (CID 13327315) is (3R)-4-methylpent-4-ene-1,3-diol.
What is the SMILES notation for (3R)-4-methylpent-4-ene-1,3-diol?
The canonical SMILES for (3R)-4-methylpent-4-ene-1,3-diol is C=C(C)[C@H](O)CCO.
What is the InChIKey of (3R)-4-methylpent-4-ene-1,3-diol?
The InChIKey is BZQZWOYZOVQJLT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(2)6(8)3-4-7/h6-8H,1,3-4H2,2H3/t6-/m1/s1.
What are the key properties of (3R)-4-methylpent-4-ene-1,3-diol?
(3R)-4-methylpent-4-ene-1,3-diol has a molecular weight of 116.16 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methylpent-4-ene-1,3-diol is sourced from PubChem (CID 13327315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).