2,4-dimethylidenepentane-1,3,5-triol

C7H12O3 — CID 102521376

IUPAC2,4-dimethylidenepentane-1,3,5-triol
SMILESC=C(CO)C(O)C(=C)CO
InChIInChI=1S/C7H12O3/c1-5(3-8)7(10)6(2)4-9/h7-10H,1-4H2
InChIKeyPMUQCSGHXLEJQL-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.56
Rot. Bonds4

About 2,4-dimethylidenepentane-1,3,5-triol

2,4-dimethylidenepentane-1,3,5-triol (PubChem CID 102521376) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2,4-dimethylidenepentane-1,3,5-triol.

Molecular Properties

Compound Name2,4-dimethylidenepentane-1,3,5-triol
PubChem CID102521376
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2,4-dimethylidenepentane-1,3,5-triol
SMILESC=C(CO)C(O)C(=C)CO
InChIInChI=1S/C7H12O3/c1-5(3-8)7(10)6(2)4-9/h7-10H,1-4H2
InChIKeyPMUQCSGHXLEJQL-UHFFFAOYSA-N
XLogP-0.56
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylenecyclopentanol
CID 550922
(2S,3R)-2,4-dimethylpent-4-ene-1,3-diol
CID 13129934
4-Methylpent-4-ene-1,3-diol
CID 13327314
2,4-Dimethylpent-4-ene-1,3-diol
CID 13129933
(Z)-5-iodo-4-methyl-2-methylidenepent-4-ene-1,3-diol
CID 135010236
2-Methylidenepentane-1,5-diol
CID 11073385
(3R)-4-methylpent-4-ene-1,3-diol
CID 13327315
(3S)-4-methylpent-4-ene-1,3-diol
CID 13327316
5-Methylhex-5-ene-1,4-diol
CID 13875001
2-Methylidenebutane-1,3-diol
CID 14866361
4-Hydroperoxy-3-methylidenepentan-2-ol
CID 15645019
3-Methylidenehexan-2-ol
CID 15935716

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylidenepentane-1,3,5-triol?
The IUPAC name of 2,4-dimethylidenepentane-1,3,5-triol (CID 102521376) is 2,4-dimethylidenepentane-1,3,5-triol.
What is the SMILES notation for 2,4-dimethylidenepentane-1,3,5-triol?
The canonical SMILES for 2,4-dimethylidenepentane-1,3,5-triol is C=C(CO)C(O)C(=C)CO.
What is the InChIKey of 2,4-dimethylidenepentane-1,3,5-triol?
The InChIKey is PMUQCSGHXLEJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5(3-8)7(10)6(2)4-9/h7-10H,1-4H2.
What are the key properties of 2,4-dimethylidenepentane-1,3,5-triol?
2,4-dimethylidenepentane-1,3,5-triol has a molecular weight of 144.17 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylidenepentane-1,3,5-triol is sourced from PubChem (CID 102521376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).