dimethyl dotriacontanedioate

C34H66O4 — CID 14325565

IUPACdimethyl dotriacontanedioate
SMILESCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChIInChI=1S/C34H66O4/c1-37-33(35)31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(36)38-2/h3-32H2,1-2H3
InChIKeyOZEZPSMBCHDPBL-UHFFFAOYSA-N
MW538.90 g/mol
LogP11.04
Rot. Bonds31

About dimethyl dotriacontanedioate

dimethyl dotriacontanedioate (PubChem CID 14325565) has the molecular formula C34H66O4 and a molecular weight of 538.90 g/mol. Its IUPAC name is dimethyl dotriacontanedioate.

Molecular Properties

Compound Namedimethyl dotriacontanedioate
PubChem CID14325565
Molecular FormulaC34H66O4
Molecular Weight538.90 g/mol
Exact Mass538.50
IUPAC Namedimethyl dotriacontanedioate
SMILESCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChIInChI=1S/C34H66O4/c1-37-33(35)31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(36)38-2/h3-32H2,1-2H3
InChIKeyOZEZPSMBCHDPBL-UHFFFAOYSA-N
XLogP11.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.90
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
dimethyl 9-oxooctadecanedioate
CID 544455
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 20-bromoicosanoate
CID 155895697
methyl heptanoate
CID 7826
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl 7-oxooctanoate
CID 539108

Frequently Asked Questions

What is the IUPAC name of dimethyl dotriacontanedioate?
The IUPAC name of dimethyl dotriacontanedioate (CID 14325565) is dimethyl dotriacontanedioate.
What is the SMILES notation for dimethyl dotriacontanedioate?
The canonical SMILES for dimethyl dotriacontanedioate is COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC.
What is the InChIKey of dimethyl dotriacontanedioate?
The InChIKey is OZEZPSMBCHDPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66O4/c1-37-33(35)31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(36)38-2/h3-32H2,1-2H3.
What are the key properties of dimethyl dotriacontanedioate?
dimethyl dotriacontanedioate has a molecular weight of 538.90 g/mol, XLogP of 11.04, 31 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl dotriacontanedioate is sourced from PubChem (CID 14325565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).