benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate

C24H36O3 — CID 87587531

IUPACbenzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate
SMILESCC1/C=C(\OC(=O)OCc2ccccc2)CCCCCCCCCCCC1
InChIInChI=1S/C24H36O3/c1-21-15-11-8-6-4-2-3-5-7-9-14-18-23(19-21)27-24(25)26-20-22-16-12-10-13-17-22/h10,12-13,16-17,19,21H,2-9,11,14-15,18,20H2,1H3/b23-19-
InChIKeyBAYPYFUQBJIWPE-NMWGTECJSA-N
MW372.55 g/mol
LogP7.55
Rot. Bonds3

About benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate

benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate (PubChem CID 87587531) has the molecular formula C24H36O3 and a molecular weight of 372.55 g/mol. Its IUPAC name is benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate.

Molecular Properties

Compound Namebenzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate
PubChem CID87587531
Molecular FormulaC24H36O3
Molecular Weight372.55 g/mol
Exact Mass372.27
IUPAC Namebenzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate
SMILESCC1/C=C(\OC(=O)OCc2ccccc2)CCCCCCCCCCCC1
InChIInChI=1S/C24H36O3/c1-21-15-11-8-6-4-2-3-5-7-9-14-18-23(19-21)27-24(25)26-20-22-16-12-10-13-17-22/h10,12-13,16-17,19,21H,2-9,11,14-15,18,20H2,1H3/b23-19-
InChIKeyBAYPYFUQBJIWPE-NMWGTECJSA-N
XLogP7.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.55
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3-methylcyclopentadecen-1-yl) carbonate
CID 68857639
(3-methylcycloocten-1-yl) acetate
CID 73165739
(3-methylcyclopentadecen-1-yl) butanoate
CID 68818629
[(1E)-3-methylcyclopentadecen-1-yl] dodecanoate
CID 68818540
[6,16,18-triacetyloxy-2,8,14,20-tetramethyl-10,12,22,24-tetrakis(phenylmethoxycarbonyloxy)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl] acetate
CID 100917143
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl (4-methylphenyl) carbonate
CID 118690287
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl (1S)-2-oxocyclohexane-1-carboxylate
CID 69403132
bis(phenylmethoxycarbonyl) 1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylate
CID 134590867
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
benzyl (1R)-1-acetyl-2-methylidenecycloheptane-1-carboxylate
CID 134848518

Frequently Asked Questions

What is the IUPAC name of benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate?
The IUPAC name of benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate (CID 87587531) is benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate.
What is the SMILES notation for benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate?
The canonical SMILES for benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate is CC1/C=C(\OC(=O)OCc2ccccc2)CCCCCCCCCCCC1.
What is the InChIKey of benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate?
The InChIKey is BAYPYFUQBJIWPE-NMWGTECJSA-N. The full InChI is InChI=1S/C24H36O3/c1-21-15-11-8-6-4-2-3-5-7-9-14-18-23(19-21)27-24(25)26-20-22-16-12-10-13-17-22/h10,12-13,16-17,19,21H,2-9,11,14-15,18,20H2,1H3/b23-19-.
What are the key properties of benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate?
benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate has a molecular weight of 372.55 g/mol, XLogP of 7.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(1Z)-3-methylcyclopentadecen-1-yl] carbonate is sourced from PubChem (CID 87587531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).