benzyl 2-hydroxydodecyl carbonate

C20H32O4 — CID 139815173

IUPACbenzyl 2-hydroxydodecyl carbonate
SMILESCCCCCCCCCCC(O)COC(=O)OCc1ccccc1
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-12-15-19(21)17-24-20(22)23-16-18-13-10-9-11-14-18/h9-11,13-14,19,21H,2-8,12,15-17H2,1H3
InChIKeyUDQQDPDIEYIKNH-UHFFFAOYSA-N
MW336.47 g/mol
LogP5.23
Rot. Bonds13

About benzyl 2-hydroxydodecyl carbonate

benzyl 2-hydroxydodecyl carbonate (PubChem CID 139815173) has the molecular formula C20H32O4 and a molecular weight of 336.47 g/mol. Its IUPAC name is benzyl 2-hydroxydodecyl carbonate.

Molecular Properties

Compound Namebenzyl 2-hydroxydodecyl carbonate
PubChem CID139815173
Molecular FormulaC20H32O4
Molecular Weight336.47 g/mol
Exact Mass336.23
IUPAC Namebenzyl 2-hydroxydodecyl carbonate
SMILESCCCCCCCCCCC(O)COC(=O)OCc1ccccc1
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-12-15-19(21)17-24-20(22)23-16-18-13-10-9-11-14-18/h9-11,13-14,19,21H,2-8,12,15-17H2,1H3
InChIKeyUDQQDPDIEYIKNH-UHFFFAOYSA-N
XLogP5.23
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-hydroxydecanoate
CID 139390218
benzyl 2-decyldodecanoate
CID 129279401
benzyl (2R,3S)-3-hydroxy-2-methylundecanoate
CID 101265644
benzyl 6-hydroxydecanoate
CID 154601453
benzyl 2-propyldecanoate
CID 175305414
benzyl 2,5-dimethyltetradecanoate
CID 177381525
octyl-oxo-phenylmethoxycarbonyloxytin
CID 141184681
5-hydroxy-2-phenylmethoxyoctadecanoic acid
CID 101300015
benzyl acetate;dodecane
CID 138609592
(2-hydroxy-3-phenylmethoxypropyl) dodecanoate
CID 14451248
9-hydroxy-4-phenylmethoxyoctadecanoic acid
CID 101300091
benzyl 2-phenylheptanoate
CID 175026183

Frequently Asked Questions

What is the IUPAC name of benzyl 2-hydroxydodecyl carbonate?
The IUPAC name of benzyl 2-hydroxydodecyl carbonate (CID 139815173) is benzyl 2-hydroxydodecyl carbonate.
What is the SMILES notation for benzyl 2-hydroxydodecyl carbonate?
The canonical SMILES for benzyl 2-hydroxydodecyl carbonate is CCCCCCCCCCC(O)COC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-hydroxydodecyl carbonate?
The InChIKey is UDQQDPDIEYIKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-12-15-19(21)17-24-20(22)23-16-18-13-10-9-11-14-18/h9-11,13-14,19,21H,2-8,12,15-17H2,1H3.
What are the key properties of benzyl 2-hydroxydodecyl carbonate?
benzyl 2-hydroxydodecyl carbonate has a molecular weight of 336.47 g/mol, XLogP of 5.23, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-hydroxydodecyl carbonate is sourced from PubChem (CID 139815173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).