ethyl 10-methyl-2-methylidenedodecanoate

C16H30O2 — CID 139878414

IUPACethyl 10-methyl-2-methylidenedodecanoate
SMILESC=C(CCCCCCCC(C)CC)C(=O)OCC
InChIInChI=1S/C16H30O2/c1-5-14(3)12-10-8-7-9-11-13-15(4)16(17)18-6-2/h14H,4-13H2,1-3H3
InChIKeyWDEJYMCPTHULFF-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.88
Rot. Bonds11

About ethyl 10-methyl-2-methylidenedodecanoate

ethyl 10-methyl-2-methylidenedodecanoate (PubChem CID 139878414) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is ethyl 10-methyl-2-methylidenedodecanoate.

Molecular Properties

Compound Nameethyl 10-methyl-2-methylidenedodecanoate
PubChem CID139878414
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nameethyl 10-methyl-2-methylidenedodecanoate
SMILESC=C(CCCCCCCC(C)CC)C(=O)OCC
InChIInChI=1S/C16H30O2/c1-5-14(3)12-10-8-7-9-11-13-15(4)16(17)18-6-2/h14H,4-13H2,1-3H3
InChIKeyWDEJYMCPTHULFF-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.88
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

ethyl 2-methylideneicosanoate
CID 22336431
ethene;ethyl 2-methylideneoctanoate
CID 87556875
1-O-ethyl 7-O-propan-2-yl 2-methylideneheptanedioate
CID 51031426
ethyl 8-fluoro-2-methylideneoctanoate
CID 118365464
2-methylbutyl 2-methylidenebutanoate
CID 57090354
6-methyl-2-methylideneoctanoic acid
CID 54361308
8-methyldecanoyl 8-methyldecanoate
CID 175714678
(18R)-18-methylicosanoic acid
CID 71587706
3-methylbutyl 2-methylideneoctanoate
CID 174563366
2,7-dimethylnon-1-ene
CID 123682074
methyl 23-methylpentacosanoate
CID 15047975
methyl (18R)-18-methylicosanoate
CID 102237844

Frequently Asked Questions

What is the IUPAC name of ethyl 10-methyl-2-methylidenedodecanoate?
The IUPAC name of ethyl 10-methyl-2-methylidenedodecanoate (CID 139878414) is ethyl 10-methyl-2-methylidenedodecanoate.
What is the SMILES notation for ethyl 10-methyl-2-methylidenedodecanoate?
The canonical SMILES for ethyl 10-methyl-2-methylidenedodecanoate is C=C(CCCCCCCC(C)CC)C(=O)OCC.
What is the InChIKey of ethyl 10-methyl-2-methylidenedodecanoate?
The InChIKey is WDEJYMCPTHULFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-5-14(3)12-10-8-7-9-11-13-15(4)16(17)18-6-2/h14H,4-13H2,1-3H3.
What are the key properties of ethyl 10-methyl-2-methylidenedodecanoate?
ethyl 10-methyl-2-methylidenedodecanoate has a molecular weight of 254.41 g/mol, XLogP of 4.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-methyl-2-methylidenedodecanoate is sourced from PubChem (CID 139878414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).