1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol

C9H16O3 — CID 19781141

IUPAC1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol
SMILESC=CCC(C)(O)CC1OCCO1
InChIInChI=1S/C9H16O3/c1-3-4-9(2,10)7-8-11-5-6-12-8/h3,8,10H,1,4-7H2,2H3
InChIKeyCUDGKEWEJIGJSG-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.08
Rot. Bonds4

About 1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol

1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol (PubChem CID 19781141) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol
PubChem CID19781141
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol
SMILESC=CCC(C)(O)CC1OCCO1
InChIInChI=1S/C9H16O3/c1-3-4-9(2,10)7-8-11-5-6-12-8/h3,8,10H,1,4-7H2,2H3
InChIKeyCUDGKEWEJIGJSG-UHFFFAOYSA-N
XLogP1.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol (CID 19781141) is 1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol is C=CCC(C)(O)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol?
The InChIKey is CUDGKEWEJIGJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-4-9(2,10)7-8-11-5-6-12-8/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol?
1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol has a molecular weight of 172.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-2-methylpent-4-en-2-ol is sourced from PubChem (CID 19781141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).