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

C18H34O3 — CID 88881986

IUPAC[(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate
SMILESCCCCCCC(C)/C=C\COC(=O)OC(CC)C(C)C
InChIInChI=1S/C18H34O3/c1-6-8-9-10-12-16(5)13-11-14-20-18(19)21-17(7-2)15(3)4/h11,13,15-17H,6-10,12,14H2,1-5H3/b13-11-
InChIKeyFSHSQOGWPNOPRC-QBFSEMIESA-N
MW298.47 g/mol
LogP5.74
Rot. Bonds11

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

[(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate (PubChem CID 88881986) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is [(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate.

Molecular Properties

Compound Name[(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate
PubChem CID88881986
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name[(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate
SMILESCCCCCCC(C)/C=C\COC(=O)OC(CC)C(C)C
InChIInChI=1S/C18H34O3/c1-6-8-9-10-12-16(5)13-11-14-20-18(19)21-17(7-2)15(3)4/h11,13,15-17H,6-10,12,14H2,1-5H3/b13-11-
InChIKeyFSHSQOGWPNOPRC-QBFSEMIESA-N
XLogP5.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.74
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] 2,2,4-trimethylpentan-3-yl carbonate
CID 88928657
2-methylnonan-3-yl propyl carbonate
CID 129131693
2,4-dimethylpentan-3-yl (Z)-5-methylundec-3-enoate
CID 88882000
ethyl 2-methylpentan-3-yl carbonate
CID 23451734
1-O-[(E)-dodec-2-enyl] 5-O-(2-methylpentan-3-yl) pentanedioate
CID 91705422
(E)-7-methyltridec-5-en-3-one
CID 89048290
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
4-O-(2-methylpentan-3-yl) 1-O-tetradecyl (E)-but-2-enedioate
CID 91698680
(E)-10-methylheptadec-8-ene
CID 10923034
(E,11S)-11-methyltricos-9-ene
CID 163215390

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate?
The IUPAC name of [(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate (CID 88881986) is [(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate.
What is the SMILES notation for [(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate?
The canonical SMILES for [(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate is CCCCCCC(C)/C=C\COC(=O)OC(CC)C(C)C.
What is the InChIKey of [(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate?
The InChIKey is FSHSQOGWPNOPRC-QBFSEMIESA-N. The full InChI is InChI=1S/C18H34O3/c1-6-8-9-10-12-16(5)13-11-14-20-18(19)21-17(7-2)15(3)4/h11,13,15-17H,6-10,12,14H2,1-5H3/b13-11-.
What are the key properties of [(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate?
[(Z)-4-methyldec-2-enyl] 2-methylpentan-3-yl carbonate has a molecular weight of 298.47 g/mol, XLogP of 5.74, 11 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-methylpentan-3-yl carbonate is sourced from PubChem (CID 88881986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).