(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate

C14H24O4 — CID 139966366

IUPAC(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1COC(C)(CCCCC)O1
InChIInChI=1S/C14H24O4/c1-5-6-7-8-14(4)17-10-12(18-14)9-16-13(15)11(2)3/h12H,2,5-10H2,1,3-4H3
InChIKeyBCINPVMIZMHINU-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.82
Rot. Bonds7

About (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate

(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate (PubChem CID 139966366) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
PubChem CID139966366
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1COC(C)(CCCCC)O1
InChIInChI=1S/C14H24O4/c1-5-6-7-8-14(4)17-10-12(18-14)9-16-13(15)11(2)3/h12H,2,5-10H2,1,3-4H3
InChIKeyBCINPVMIZMHINU-UHFFFAOYSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Isopropylideneglyceryl methacrylate
CID 110950
2-Propenoic acid, 2-methyl-, (2-oxo-1,3-dioxolan-4-yl)methyl ester
CID 11126977
2-Propenoic acid, 2-methyl-, 1,3-dioxolan-4-ylmethyl ester
CID 60131795
(1,4-Dioxaspiro[4.5]decan-2-yl)methyl 2-methylprop-2-enoate
CID 22129412
[2-Methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-yl] acetate
CID 13481363
Methacrylic acid 2-heptyl-[1,3]dioxolan-4-ylmethyl ester
CID 129851533
(2-Ethyl-2-methyl-1,3-dioxolan-4-yl)methyl 2-methyl-2-propenoate
CID 11063792
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate
CID 13521319
[2-Methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate
CID 13643195
[2-Methyl-2-(2-oxopropyl)-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate
CID 13643196
[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 2-methylprop-2-enoate
CID 15700054
[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl] 2-methylprop-2-enoate
CID 15700056

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate (CID 139966366) is (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1COC(C)(CCCCC)O1.
What is the InChIKey of (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate?
The InChIKey is BCINPVMIZMHINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-5-6-7-8-14(4)17-10-12(18-14)9-16-13(15)11(2)3/h12H,2,5-10H2,1,3-4H3.
What are the key properties of (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate?
(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 139966366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).