2-methyl-2-prop-2-enylpent-4-ene-1,1-diol

C9H16O2 — CID 87894434

IUPAC2-methyl-2-prop-2-enylpent-4-ene-1,1-diol
SMILESC=CCC(C)(CC=C)C(O)O
InChIInChI=1S/C9H16O2/c1-4-6-9(3,7-5-2)8(10)11/h4-5,8,10-11H,1-2,6-7H2,3H3
InChIKeyUWSVCRNTVRVHBK-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.46
Rot. Bonds5

About 2-methyl-2-prop-2-enylpent-4-ene-1,1-diol

2-methyl-2-prop-2-enylpent-4-ene-1,1-diol (PubChem CID 87894434) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enylpent-4-ene-1,1-diol.

Molecular Properties

Compound Name2-methyl-2-prop-2-enylpent-4-ene-1,1-diol
PubChem CID87894434
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-methyl-2-prop-2-enylpent-4-ene-1,1-diol
SMILESC=CCC(C)(CC=C)C(O)O
InChIInChI=1S/C9H16O2/c1-4-6-9(3,7-5-2)8(10)11/h4-5,8,10-11H,1-2,6-7H2,3H3
InChIKeyUWSVCRNTVRVHBK-UHFFFAOYSA-N
XLogP1.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enylpent-4-ene-1,1-diol?
The IUPAC name of 2-methyl-2-prop-2-enylpent-4-ene-1,1-diol (CID 87894434) is 2-methyl-2-prop-2-enylpent-4-ene-1,1-diol.
What is the SMILES notation for 2-methyl-2-prop-2-enylpent-4-ene-1,1-diol?
The canonical SMILES for 2-methyl-2-prop-2-enylpent-4-ene-1,1-diol is C=CCC(C)(CC=C)C(O)O.
What is the InChIKey of 2-methyl-2-prop-2-enylpent-4-ene-1,1-diol?
The InChIKey is UWSVCRNTVRVHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-6-9(3,7-5-2)8(10)11/h4-5,8,10-11H,1-2,6-7H2,3H3.
What are the key properties of 2-methyl-2-prop-2-enylpent-4-ene-1,1-diol?
2-methyl-2-prop-2-enylpent-4-ene-1,1-diol has a molecular weight of 156.22 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enylpent-4-ene-1,1-diol is sourced from PubChem (CID 87894434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).