5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol

C9H16O3 — CID 10057979

IUPAC5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol
SMILESC=CC(O)CCC1(C)OCCO1
InChIInChI=1S/C9H16O3/c1-3-8(10)4-5-9(2)11-6-7-12-9/h3,8,10H,1,4-7H2,2H3
InChIKeyJTLYHAAKLKXCIT-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.08
Rot. Bonds4

About 5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol

5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol (PubChem CID 10057979) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol.

Molecular Properties

Compound Name5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol
PubChem CID10057979
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol
SMILESC=CC(O)CCC1(C)OCCO1
InChIInChI=1S/C9H16O3/c1-3-8(10)4-5-9(2)11-6-7-12-9/h3,8,10H,1,4-7H2,2H3
InChIKeyJTLYHAAKLKXCIT-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 5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol?
The IUPAC name of 5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol (CID 10057979) is 5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol.
What is the SMILES notation for 5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol?
The canonical SMILES for 5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol is C=CC(O)CCC1(C)OCCO1.
What is the InChIKey of 5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol?
The InChIKey is JTLYHAAKLKXCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-8(10)4-5-9(2)11-6-7-12-9/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol?
5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-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 5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-ol is sourced from PubChem (CID 10057979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).