(2S)-2-methylpent-4-ene-1,2-diol

C6H12O2 — CID 10887876

IUPAC(2S)-2-methylpent-4-ene-1,2-diol
SMILESC=CC[C@](C)(O)CO
InChIInChI=1S/C6H12O2/c1-3-4-6(2,8)5-7/h3,7-8H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyFAXVDSOZRPJENM-LURJTMIESA-N
MW116.16 g/mol
LogP0.31
Rot. Bonds3

About (2S)-2-methylpent-4-ene-1,2-diol

(2S)-2-methylpent-4-ene-1,2-diol (PubChem CID 10887876) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2S)-2-methylpent-4-ene-1,2-diol.

Molecular Properties

Compound Name(2S)-2-methylpent-4-ene-1,2-diol
PubChem CID10887876
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2S)-2-methylpent-4-ene-1,2-diol
SMILESC=CC[C@](C)(O)CO
InChIInChI=1S/C6H12O2/c1-3-4-6(2,8)5-7/h3,7-8H,1,4-5H2,2H3/t6-/m0/s1
InChIKeyFAXVDSOZRPJENM-LURJTMIESA-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

3-(Prop-2-en-1-yl)oxetan-3-ol
CID 55280862
(S)-4-Pentene-1,2-diol
CID 11062320
Pent-4-ene-1,2-diol
CID 10942356
1-Hexene-4,5-diol
CID 11137138
(2R)-pent-4-ene-1,2-diol
CID 11768514
2-Allylpropane-1,2,3-triol
CID 16126086
2-Methyl furfuryl alcohol
CID 70192182
Allyl glycidol
CID 129703128
InChI=1/C7H12O2/c1-4-7(9,5-2)6(3)8/h4-6,8-9H,1-2H2,3H
CID 15939993
(2R,3R)-hex-5-ene-2,3-diol
CID 10931415
(2R,3S)-hex-5-ene-2,3-diol
CID 15936670
(2R)-2-methylhex-5-ene-1,2-diol
CID 15936671

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylpent-4-ene-1,2-diol?
The IUPAC name of (2S)-2-methylpent-4-ene-1,2-diol (CID 10887876) is (2S)-2-methylpent-4-ene-1,2-diol.
What is the SMILES notation for (2S)-2-methylpent-4-ene-1,2-diol?
The canonical SMILES for (2S)-2-methylpent-4-ene-1,2-diol is C=CC[C@](C)(O)CO.
What is the InChIKey of (2S)-2-methylpent-4-ene-1,2-diol?
The InChIKey is FAXVDSOZRPJENM-LURJTMIESA-N. The full InChI is InChI=1S/C6H12O2/c1-3-4-6(2,8)5-7/h3,7-8H,1,4-5H2,2H3/t6-/m0/s1.
What are the key properties of (2S)-2-methylpent-4-ene-1,2-diol?
(2S)-2-methylpent-4-ene-1,2-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 (2S)-2-methylpent-4-ene-1,2-diol is sourced from PubChem (CID 10887876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).