2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate

C13H24O3 — CID 118654590

IUPAC2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate
SMILESCC/C=C/COC(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C13H24O3/c1-6-7-8-9-15-13(14)16-12(10(2)3)11(4)5/h7-8,10-12H,6,9H2,1-5H3/b8-7+
InChIKeyLRVGLLBFKACNGJ-BQYQJAHWSA-N
MW228.33 g/mol
LogP3.79
Rot. Bonds6

About 2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate

2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate (PubChem CID 118654590) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate
PubChem CID118654590
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate
SMILESCC/C=C/COC(=O)OC(C(C)C)C(C)C
InChIInChI=1S/C13H24O3/c1-6-7-8-9-15-13(14)16-12(10(2)3)11(4)5/h7-8,10-12H,6,9H2,1-5H3/b8-7+
InChIKeyLRVGLLBFKACNGJ-BQYQJAHWSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylpentan-3-yl [(3Z,6Z,9Z)-dodeca-3,6,9-trienyl] carbonate
CID 140637121
bis(2,4-dimethylpentan-3-yl) carbonate
CID 87168840
2,4-dimethylpentan-3-yl [(E)-docos-13-enyl] carbonate
CID 140616883
2,4-dimethylpentan-3-yl [(Z)-octadec-9-enyl] carbonate
CID 58356944
1-chloroethyl [(E)-4-hydroxybut-2-enyl] carbonate
CID 87403622
[2,5-dimethyl-4-(2-methylpropoxycarbonyloxy)hexan-3-yl] 2-methylpropyl carbonate
CID 88596961
2,4-dimethylpentan-3-yl (E)-oct-5-enoate
CID 140637119
2,4-dimethylpentan-3-yl methyl carbonate
CID 59320466
bis[(E)-pent-2-enyl] pentanedioate
CID 91706483
2-O-[(E)-pent-2-enyl] 1-O-prop-2-enyl oxalate
CID 155300738
bis(nona-2,6-dienyl) butanedioate
CID 172814579
4-O-(2,4-dimethylpentan-3-yl) 1-O-ethyl butanedioate
CID 91713409

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate?
The IUPAC name of 2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate (CID 118654590) is 2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate?
The canonical SMILES for 2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate is CC/C=C/COC(=O)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate?
The InChIKey is LRVGLLBFKACNGJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H24O3/c1-6-7-8-9-15-13(14)16-12(10(2)3)11(4)5/h7-8,10-12H,6,9H2,1-5H3/b8-7+.
What are the key properties of 2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate?
2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate has a molecular weight of 228.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl [(E)-pent-2-enyl] carbonate is sourced from PubChem (CID 118654590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).