3-methylpent-2-ene-1,5-diol;propanoic acid

C12H24O6 — CID 71447026

IUPAC3-methylpent-2-ene-1,5-diol;propanoic acid
SMILESCC(=CCO)CCO.CCC(=O)O.CCC(=O)O
InChIInChI=1S/C6H12O2.2C3H6O2/c1-6(2-4-7)3-5-8;2*1-2-3(4)5/h2,7-8H,3-5H2,1H3;2*2H2,1H3,(H,4,5)
InChIKeyJYZNBGDQNFPBRX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.27
Rot. Bonds5

About 3-methylpent-2-ene-1,5-diol;propanoic acid

3-methylpent-2-ene-1,5-diol;propanoic acid (PubChem CID 71447026) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methylpent-2-ene-1,5-diol;propanoic acid.

Molecular Properties

Compound Name3-methylpent-2-ene-1,5-diol;propanoic acid
PubChem CID71447026
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name3-methylpent-2-ene-1,5-diol;propanoic acid
SMILESCC(=CCO)CCO.CCC(=O)O.CCC(=O)O
InChIInChI=1S/C6H12O2.2C3H6O2/c1-6(2-4-7)3-5-8;2*1-2-3(4)5/h2,7-8H,3-5H2,1H3;2*2H2,1H3,(H,4,5)
InChIKeyJYZNBGDQNFPBRX-UHFFFAOYSA-N
XLogP1.27
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
(Z)-7-hydroxy-5-methylhept-4-enoic acid
CID 175085361
6-chloro-3,7-dimethylocta-2,7-dien-1-ol;propanoic acid
CID 71331223
9-hydroxy-3,7-dimethylnona-3,7-dienoic acid
CID 54505470
(Z)-3-methylhex-3-ene-1,6-diol
CID 129322397
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
but-2-ene-1,4-diol;propanoic acid
CID 71351033
7-ethyl-3-methylnona-2,6-dien-1-ol
CID 54398542
(2E)-3,7-dimethylocta-2,6-dien-1-ol;docosanoic acid
CID 175327394
acetic acid;8-bromo-3,7-dimethylocta-2,6-dien-1-ol
CID 71360649
8-hydroxy-2,6-dimethyloct-6-en-3-one
CID 54166148
(3E,7E)-9-hydroxy-3,7-dimethylnona-3,7-dien-2-one
CID 87428848

Frequently Asked Questions

What is the IUPAC name of 3-methylpent-2-ene-1,5-diol;propanoic acid?
The IUPAC name of 3-methylpent-2-ene-1,5-diol;propanoic acid (CID 71447026) is 3-methylpent-2-ene-1,5-diol;propanoic acid.
What is the SMILES notation for 3-methylpent-2-ene-1,5-diol;propanoic acid?
The canonical SMILES for 3-methylpent-2-ene-1,5-diol;propanoic acid is CC(=CCO)CCO.CCC(=O)O.CCC(=O)O.
What is the InChIKey of 3-methylpent-2-ene-1,5-diol;propanoic acid?
The InChIKey is JYZNBGDQNFPBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.2C3H6O2/c1-6(2-4-7)3-5-8;2*1-2-3(4)5/h2,7-8H,3-5H2,1H3;2*2H2,1H3,(H,4,5).
What are the key properties of 3-methylpent-2-ene-1,5-diol;propanoic acid?
3-methylpent-2-ene-1,5-diol;propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-2-ene-1,5-diol;propanoic acid is sourced from PubChem (CID 71447026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).