(2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate

C15H26O4 — CID 143616397

IUPAC(2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OCC1COC(C)O1
InChIInChI=1S/C15H26O4/c1-3-4-5-6-7-8-9-10-15(16)18-12-14-11-17-13(2)19-14/h3,13-14H,1,4-12H2,2H3
InChIKeyQNTIXBXNDCJBIW-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.21
Rot. Bonds10

About (2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate

(2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate (PubChem CID 143616397) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate.

Molecular Properties

Compound Name(2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate
PubChem CID143616397
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate
SMILESC=CCCCCCCCC(=O)OCC1COC(C)O1
InChIInChI=1S/C15H26O4/c1-3-4-5-6-7-8-9-10-15(16)18-12-14-11-17-13(2)19-14/h3,13-14H,1,4-12H2,2H3
InChIKeyQNTIXBXNDCJBIW-UHFFFAOYSA-N
XLogP3.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl (9Z)-octadec-9-enoate
CID 14866490
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 21159825
[(2R)-but-3-en-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 11128865
[(2R)-but-3-yn-2-yl] 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 11807142
Ethyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)acetate
CID 14545747
Methyl 2-(2-pent-4-enyl-1,3-dioxolan-2-yl)acetate
CID 85667171
[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enyl] acetate
CID 101441101
9,12,15-Octadecatrienoic acid, 2,2-dimethyl-1,3-dioxolan-4-ylmethyl ester, (Z,Z,Z)-
CID 5364049
Methyl 4-(2-hex-5-enyl-1,3-dioxolan-2-yl)butanoate
CID 11253870
5-(1,3-dioxolan-2-yl)pentan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 11339179
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl (9Z,12Z)-octadeca-9,12-dienoate
CID 71749805
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl (9Z)-9-octadecenoate
CID 582071

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate?
The IUPAC name of (2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate (CID 143616397) is (2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate.
What is the SMILES notation for (2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate?
The canonical SMILES for (2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate is C=CCCCCCCCC(=O)OCC1COC(C)O1.
What is the InChIKey of (2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate?
The InChIKey is QNTIXBXNDCJBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-3-4-5-6-7-8-9-10-15(16)18-12-14-11-17-13(2)19-14/h3,13-14H,1,4-12H2,2H3.
What are the key properties of (2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate?
(2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate has a molecular weight of 270.37 g/mol, XLogP of 3.21, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxolan-4-yl)methyl dec-9-enoate is sourced from PubChem (CID 143616397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).