[(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate

C20H38O3 — CID 88928657

IUPAC[(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate
SMILESCCCCCCC(C)/C=C\COC(=O)OC(C(C)C)C(C)(C)C
InChIInChI=1S/C20H38O3/c1-8-9-10-11-13-17(4)14-12-15-22-19(21)23-18(16(2)3)20(5,6)7/h12,14,16-18H,8-11,13,15H2,1-7H3/b14-12-
InChIKeyBSLNQLKFKIYRKZ-OWBHPGMISA-N
MW326.52 g/mol
LogP6.37
Rot. Bonds10

About [(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate

[(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate (PubChem CID 88928657) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is [(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate.

Molecular Properties

Compound Name[(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate
PubChem CID88928657
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name[(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate
SMILESCCCCCCC(C)/C=C\COC(=O)OC(C(C)C)C(C)(C)C
InChIInChI=1S/C20H38O3/c1-8-9-10-11-13-17(4)14-12-15-22-19(21)23-18(16(2)3)20(5,6)7/h12,14,16-18H,8-11,13,15H2,1-7H3/b14-12-
InChIKeyBSLNQLKFKIYRKZ-OWBHPGMISA-N
XLogP6.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate
CID 88881986
[(E)-octadec-9-enyl] 2,2,4-trimethylpentan-3-yl carbonate
CID 58356929
2,4-dimethylpentan-3-yl (Z)-5-methylundec-3-enoate
CID 88882000
(E)-7-methyltridec-5-en-3-one
CID 89048290
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797
3-methylbutan-2-yl (E)-15-methylhenicos-13-enoate
CID 129129467
(E)-5-methyldodec-3-ene
CID 173194511
6-methyltetracos-4-enoic acid
CID 173102051
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
7-methylhexadec-5-ene
CID 150059561
[(Z)-9-methylpentadec-10-enyl] acetate
CID 5364576

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate?
The IUPAC name of [(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate (CID 88928657) is [(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate.
What is the SMILES notation for [(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate?
The canonical SMILES for [(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate is CCCCCCC(C)/C=C\COC(=O)OC(C(C)C)C(C)(C)C.
What is the InChIKey of [(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate?
The InChIKey is BSLNQLKFKIYRKZ-OWBHPGMISA-N. The full InChI is InChI=1S/C20H38O3/c1-8-9-10-11-13-17(4)14-12-15-22-19(21)23-18(16(2)3)20(5,6)7/h12,14,16-18H,8-11,13,15H2,1-7H3/b14-12-.
What are the key properties of [(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate?
[(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate has a molecular weight of 326.52 g/mol, XLogP of 6.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methyldec-2-enyl] 2,2,4-trimethylpentan-3-yl carbonate is sourced from PubChem (CID 88928657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).