dipropyl carbonate;dodecan-1-ol

C19H40O4 — CID 174718706

IUPACdipropyl carbonate;dodecan-1-ol
SMILESCCCCCCCCCCCCO.CCCOC(=O)OCCC
InChIInChI=1S/C12H26O.C7H14O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-9-7(8)10-6-4-2/h13H,2-12H2,1H3;3-6H2,1-2H3
InChIKeyCPFWTOZLSULFMW-UHFFFAOYSA-N
MW332.53 g/mol
LogP5.86
Rot. Bonds14

About dipropyl carbonate;dodecan-1-ol

dipropyl carbonate;dodecan-1-ol (PubChem CID 174718706) has the molecular formula C19H40O4 and a molecular weight of 332.53 g/mol. Its IUPAC name is dipropyl carbonate;dodecan-1-ol.

Molecular Properties

Compound Namedipropyl carbonate;dodecan-1-ol
PubChem CID174718706
Molecular FormulaC19H40O4
Molecular Weight332.53 g/mol
Exact Mass332.29
IUPAC Namedipropyl carbonate;dodecan-1-ol
SMILESCCCCCCCCCCCCO.CCCOC(=O)OCCC
InChIInChI=1S/C12H26O.C7H14O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-9-7(8)10-6-4-2/h13H,2-12H2,1H3;3-6H2,1-2H3
InChIKeyCPFWTOZLSULFMW-UHFFFAOYSA-N
XLogP5.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.86
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

2-hydroxyethyl nonyl carbonate
CID 87512716
hexyl 2-hydroxyethyl carbonate
CID 57493507
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
6-[4-hydroxybutyl(6-undecoxycarbonyloxyhexyl)amino]hexyl undecyl carbonate
CID 167299130
5-[3-[bis(5-decoxycarbonyloxypentyl)amino]propyl-(6-hydroxyhexyl)amino]pentyl decyl carbonate
CID 168999434
azane;dioctyl carbonate
CID 174626203
bis(5-hydroxypentyl) carbonate
CID 54559104
6-(6-hydroxyhexoxycarbonyloxy)hexyl 6-hydroxyhexyl carbonate
CID 21031358
dodecan-1-ol;pentyl acetate
CID 174729333

Frequently Asked Questions

What is the IUPAC name of dipropyl carbonate;dodecan-1-ol?
The IUPAC name of dipropyl carbonate;dodecan-1-ol (CID 174718706) is dipropyl carbonate;dodecan-1-ol.
What is the SMILES notation for dipropyl carbonate;dodecan-1-ol?
The canonical SMILES for dipropyl carbonate;dodecan-1-ol is CCCCCCCCCCCCO.CCCOC(=O)OCCC.
What is the InChIKey of dipropyl carbonate;dodecan-1-ol?
The InChIKey is CPFWTOZLSULFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C7H14O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-9-7(8)10-6-4-2/h13H,2-12H2,1H3;3-6H2,1-2H3.
What are the key properties of dipropyl carbonate;dodecan-1-ol?
dipropyl carbonate;dodecan-1-ol has a molecular weight of 332.53 g/mol, XLogP of 5.86, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl carbonate;dodecan-1-ol is sourced from PubChem (CID 174718706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).