2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate

C16H24O5 — CID 11358399

IUPAC2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate
SMILESCC(CCOC(=O)OCC(O)CO)CCc1ccccc1
InChIInChI=1S/C16H24O5/c1-13(7-8-14-5-3-2-4-6-14)9-10-20-16(19)21-12-15(18)11-17/h2-6,13,15,17-18H,7-12H2,1H3
InChIKeyQYJMLUBRWHJWKS-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.15
Rot. Bonds9

About 2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate

2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate (PubChem CID 11358399) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is 2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate.

Molecular Properties

Compound Name2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate
PubChem CID11358399
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate
SMILESCC(CCOC(=O)OCC(O)CO)CCc1ccccc1
InChIInChI=1S/C16H24O5/c1-13(7-8-14-5-3-2-4-6-14)9-10-20-16(19)21-12-15(18)11-17/h2-6,13,15,17-18H,7-12H2,1H3
InChIKeyQYJMLUBRWHJWKS-UHFFFAOYSA-N
XLogP2.15
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate
CID 130220835
benzyl 3-hydroxybutyl carbonate
CID 15121666
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
3-methyl-5-phenylpentanamide
CID 66761020
(3-methyl-5-phenylpentyl) (E)-2-methyl-3-(2-methylphenyl)prop-2-enoate
CID 70917052
2,3-dihydroxypropyl (2S)-2-[bis(phenylmethoxycarbonyl)amino]-3-methylbutanoate
CID 70284264
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
(2R)-2-(2-methylpropoxycarbonylamino)-4-phenylbutanoic acid
CID 58474049
(4-methoxy-2-methylbutyl) 3-phenylpropanoate
CID 91702047
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate?
The IUPAC name of 2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate (CID 11358399) is 2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate.
What is the SMILES notation for 2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate?
The canonical SMILES for 2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate is CC(CCOC(=O)OCC(O)CO)CCc1ccccc1.
What is the InChIKey of 2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate?
The InChIKey is QYJMLUBRWHJWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O5/c1-13(7-8-14-5-3-2-4-6-14)9-10-20-16(19)21-12-15(18)11-17/h2-6,13,15,17-18H,7-12H2,1H3.
What are the key properties of 2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate?
2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate has a molecular weight of 296.36 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl (3-methyl-5-phenylpentyl) carbonate is sourced from PubChem (CID 11358399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).