2-methyltriacontan-2-yl 2-methylprop-2-enoate

C35H68O2 — CID 21364873

IUPAC2-methyltriacontan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C35H68O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35(4,5)37-34(36)33(2)3/h2,6-32H2,1,3-5H3
InChIKeyLSQMDCDIXMSYCH-UHFFFAOYSA-N
MW520.93 g/mol
LogP12.44
Rot. Bonds29

About 2-methyltriacontan-2-yl 2-methylprop-2-enoate

2-methyltriacontan-2-yl 2-methylprop-2-enoate (PubChem CID 21364873) has the molecular formula C35H68O2 and a molecular weight of 520.93 g/mol. Its IUPAC name is 2-methyltriacontan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methyltriacontan-2-yl 2-methylprop-2-enoate
PubChem CID21364873
Molecular FormulaC35H68O2
Molecular Weight520.93 g/mol
Exact Mass520.52
IUPAC Name2-methyltriacontan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C35H68O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35(4,5)37-34(36)33(2)3/h2,6-32H2,1,3-5H3
InChIKeyLSQMDCDIXMSYCH-UHFFFAOYSA-N
XLogP12.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.93
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
11-fluorodocosan-11-yl 2-methylprop-2-enoate
CID 88638006
2-methyloctan-2-yl 2-methylbut-2-enoate
CID 91346292
2-dodecoxypropan-2-yl 2-methylprop-2-enoate
CID 139797914
5-methylnonan-5-yl 2-methylprop-2-enoate
CID 139896561
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
[7-methyl-7-(2-methylprop-2-enoyloxy)octan-2-yl] 2-methylprop-2-enoate
CID 22259481
4-(2-ethoxypropan-2-yl)dodecan-4-yl 2-methylprop-2-enoate
CID 150043566
(2-hydroxy-3-oxoicosan-2-yl) 2-methylprop-2-enoate
CID 22155771
2-(2-methyltridecan-2-ylamino)ethyl 2-methylprop-2-enoate
CID 89314536
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
ethyl 2-methylprop-2-enoate;2-methylheptadecan-2-amine;hydrobromide
CID 173017704

Frequently Asked Questions

What is the IUPAC name of 2-methyltriacontan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-methyltriacontan-2-yl 2-methylprop-2-enoate (CID 21364873) is 2-methyltriacontan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methyltriacontan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-methyltriacontan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-methyltriacontan-2-yl 2-methylprop-2-enoate?
The InChIKey is LSQMDCDIXMSYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H68O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-35(4,5)37-34(36)33(2)3/h2,6-32H2,1,3-5H3.
What are the key properties of 2-methyltriacontan-2-yl 2-methylprop-2-enoate?
2-methyltriacontan-2-yl 2-methylprop-2-enoate has a molecular weight of 520.93 g/mol, XLogP of 12.44, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyltriacontan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 21364873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).