(2R,3R)-2-methylpent-4-ene-1,3-diol

C6H12O2 — CID 13272625

IUPAC(2R,3R)-2-methylpent-4-ene-1,3-diol
SMILESC=C[C@@H](O)[C@H](C)CO
InChIInChI=1S/C6H12O2/c1-3-6(8)5(2)4-7/h3,5-8H,1,4H2,2H3/t5-,6-/m1/s1
InChIKeyBJWFQBCEWIRQSP-PHDIDXHHSA-N
MW116.16 g/mol
LogP0.16
Rot. Bonds3

About (2R,3R)-2-methylpent-4-ene-1,3-diol

(2R,3R)-2-methylpent-4-ene-1,3-diol (PubChem CID 13272625) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2R,3R)-2-methylpent-4-ene-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-methylpent-4-ene-1,3-diol
PubChem CID13272625
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2R,3R)-2-methylpent-4-ene-1,3-diol
SMILESC=C[C@@H](O)[C@H](C)CO
InChIInChI=1S/C6H12O2/c1-3-6(8)5(2)4-7/h3,5-8H,1,4H2,2H3/t5-,6-/m1/s1
InChIKeyBJWFQBCEWIRQSP-PHDIDXHHSA-N
XLogP0.16
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 ≤ 50.16
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

4-Methyl-1-penten-3-ol
CID 20929
5-Methyl-1-hexen-3-ol
CID 5314815
Pent-4-ene-1,3-diol
CID 11126191
1-Cyclopropylprop-2-en-1-ol
CID 12774540
2-Allyl-1,3-propandiol
CID 11062352
1-Hexen-3-ol, 4-methyl-
CID 12218386
(2S,3R)-2,4-dimethylpent-4-ene-1,3-diol
CID 13129934
2-Methylhexa-4,5-dien-3-ol
CID 10986182
(3R)-pent-4-ene-1,3-diol
CID 12213675
(3R)-4-methylpent-1-en-3-ol
CID 12477263
2-Methylpent-4-ene-1,3-diol
CID 13272624
(2R,3S)-2-prop-2-enylbutane-1,3-diol
CID 13403948

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methylpent-4-ene-1,3-diol?
The IUPAC name of (2R,3R)-2-methylpent-4-ene-1,3-diol (CID 13272625) is (2R,3R)-2-methylpent-4-ene-1,3-diol.
What is the SMILES notation for (2R,3R)-2-methylpent-4-ene-1,3-diol?
The canonical SMILES for (2R,3R)-2-methylpent-4-ene-1,3-diol is C=C[C@@H](O)[C@H](C)CO.
What is the InChIKey of (2R,3R)-2-methylpent-4-ene-1,3-diol?
The InChIKey is BJWFQBCEWIRQSP-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-6(8)5(2)4-7/h3,5-8H,1,4H2,2H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-2-methylpent-4-ene-1,3-diol?
(2R,3R)-2-methylpent-4-ene-1,3-diol has a molecular weight of 116.16 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methylpent-4-ene-1,3-diol is sourced from PubChem (CID 13272625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).