3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol

C9H16O2 — CID 14186645

IUPAC3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol
SMILESC=CC(C)(O)C(CO)C(=C)C
InChIInChI=1S/C9H16O2/c1-5-9(4,11)8(6-10)7(2)3/h5,8,10-11H,1-2,6H2,3-4H3
InChIKeyVELVMAHUONHCSK-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.11
Rot. Bonds4

About 3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol

3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol (PubChem CID 14186645) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol.

Molecular Properties

Compound Name3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol
PubChem CID14186645
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol
SMILESC=CC(C)(O)C(CO)C(=C)C
InChIInChI=1S/C9H16O2/c1-5-9(4,11)8(6-10)7(2)3/h5,8,10-11H,1-2,6H2,3-4H3
InChIKeyVELVMAHUONHCSK-UHFFFAOYSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol?
The IUPAC name of 3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol (CID 14186645) is 3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol.
What is the SMILES notation for 3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol?
The canonical SMILES for 3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol is C=CC(C)(O)C(CO)C(=C)C.
What is the InChIKey of 3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol?
The InChIKey is VELVMAHUONHCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-9(4,11)8(6-10)7(2)3/h5,8,10-11H,1-2,6H2,3-4H3.
What are the key properties of 3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol?
3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol has a molecular weight of 156.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-1-en-2-ylpent-4-ene-1,3-diol is sourced from PubChem (CID 14186645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).