(1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate

C19H38O5 — CID 54143441

IUPAC(1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate
SMILESCCCCCCCCCCCCCCOCC(CO)OC(=O)OC
InChIInChI=1S/C19H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-17-18(16-20)24-19(21)22-2/h18,20H,3-17H2,1-2H3
InChIKeyOCRQEQADPPSVLE-UHFFFAOYSA-N
MW346.51 g/mol
LogP4.85
Rot. Bonds17

About (1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate

(1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate (PubChem CID 54143441) has the molecular formula C19H38O5 and a molecular weight of 346.51 g/mol. Its IUPAC name is (1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate.

Molecular Properties

Compound Name(1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate
PubChem CID54143441
Molecular FormulaC19H38O5
Molecular Weight346.51 g/mol
Exact Mass346.27
IUPAC Name(1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate
SMILESCCCCCCCCCCCCCCOCC(CO)OC(=O)OC
InChIInChI=1S/C19H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-17-18(16-20)24-19(21)22-2/h18,20H,3-17H2,1-2H3
InChIKeyOCRQEQADPPSVLE-UHFFFAOYSA-N
XLogP4.85
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-heptadecoxy-3-hydroxypropan-2-yl) propanoate
CID 164503226
(1-dodecoxy-3-hydroxypropan-2-yl) decanoate
CID 86209450
[(2S)-1-hydroxy-3-octadecoxypropan-2-yl] butanoate
CID 87845035
(1-dodecoxy-3-hydroxypropan-2-yl) tetradecanoate
CID 10367472
(1-dodecoxy-3-hydroxypropan-2-yl) dodecanoate
CID 11102286
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250
methanesulfonic acid;(2R)-2-methoxy-3-octadecoxypropan-1-ol
CID 71407762
chloro-(2-methoxycarbonyloxy-3-octadecoxypropoxy)phosphinic acid
CID 54015026
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
methanesulfonic acid;3-octadecoxy-2-pentoxypropan-1-ol
CID 71325331

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate?
The IUPAC name of (1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate (CID 54143441) is (1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate.
What is the SMILES notation for (1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate?
The canonical SMILES for (1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate is CCCCCCCCCCCCCCOCC(CO)OC(=O)OC.
What is the InChIKey of (1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate?
The InChIKey is OCRQEQADPPSVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-23-17-18(16-20)24-19(21)22-2/h18,20H,3-17H2,1-2H3.
What are the key properties of (1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate?
(1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate has a molecular weight of 346.51 g/mol, XLogP of 4.85, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-tetradecoxypropan-2-yl) methyl carbonate is sourced from PubChem (CID 54143441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).