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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Related Compounds

(1S)-1-[(4S,5S)-5-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10899994
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10920969
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11229054
(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 11321231
2,2-Dimethyl-alpha-2-propenyl-1,3-dioxolane-4-methanol
CID 12641532
[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 10607289
(R)-1-((4R,5S)-2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 11063164
1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 155185118
[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methanol
CID 12190813
(5-Allyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 21061831
(E)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 22959671
(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 10866792

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).