9-ethyl-5-ethylidene-2,4-dimethyltridecane

C19H38 — CID 123664205

IUPAC9-ethyl-5-ethylidene-2,4-dimethyltridecane
SMILESCC=C(CCCC(CC)CCCC)C(C)CC(C)C
InChIInChI=1S/C19H38/c1-7-10-12-18(8-2)13-11-14-19(9-3)17(6)15-16(4)5/h9,16-18H,7-8,10-15H2,1-6H3
InChIKeyFPVPYWVSODJFPN-UHFFFAOYSA-N
MW266.51 g/mol
LogP7.00
Rot. Bonds11

About 9-ethyl-5-ethylidene-2,4-dimethyltridecane

9-ethyl-5-ethylidene-2,4-dimethyltridecane (PubChem CID 123664205) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 9-ethyl-5-ethylidene-2,4-dimethyltridecane.

Molecular Properties

Compound Name9-ethyl-5-ethylidene-2,4-dimethyltridecane
PubChem CID123664205
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name9-ethyl-5-ethylidene-2,4-dimethyltridecane
SMILESCC=C(CCCC(CC)CCCC)C(C)CC(C)C
InChIInChI=1S/C19H38/c1-7-10-12-18(8-2)13-11-14-19(9-3)17(6)15-16(4)5/h9,16-18H,7-8,10-15H2,1-6H3
InChIKeyFPVPYWVSODJFPN-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethylidene-3-methyloctane
CID 90798217
(4R,7R)-7-ethyl-2-methylundecan-4-ol
CID 36690392
8-ethyl-2-methyl-4-propyldodecane
CID 123360222
(4Z)-4-ethylidene-5-methylnonane
CID 142307818
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
7-ethyl-2-methyldodecan-4-ol
CID 171564250
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
6-ethyl-4-methyldecane
CID 22224210
4-ethyl-2-methyldecane
CID 19893744
(6R,9R)-3,9-diethyltridecan-6-ol
CID 86308442
7-ethylundecan-3-one
CID 64522719
(5E)-5-ethylidene-2-methyl-4-propan-2-ylnonane
CID 144924130

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-5-ethylidene-2,4-dimethyltridecane?
The IUPAC name of 9-ethyl-5-ethylidene-2,4-dimethyltridecane (CID 123664205) is 9-ethyl-5-ethylidene-2,4-dimethyltridecane.
What is the SMILES notation for 9-ethyl-5-ethylidene-2,4-dimethyltridecane?
The canonical SMILES for 9-ethyl-5-ethylidene-2,4-dimethyltridecane is CC=C(CCCC(CC)CCCC)C(C)CC(C)C.
What is the InChIKey of 9-ethyl-5-ethylidene-2,4-dimethyltridecane?
The InChIKey is FPVPYWVSODJFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-7-10-12-18(8-2)13-11-14-19(9-3)17(6)15-16(4)5/h9,16-18H,7-8,10-15H2,1-6H3.
What are the key properties of 9-ethyl-5-ethylidene-2,4-dimethyltridecane?
9-ethyl-5-ethylidene-2,4-dimethyltridecane has a molecular weight of 266.51 g/mol, XLogP of 7.00, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-5-ethylidene-2,4-dimethyltridecane is sourced from PubChem (CID 123664205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).