(E)-13-ethyl-7-methylnonadec-9-ene

C22H44 — CID 173194422

IUPAC(E)-13-ethyl-7-methylnonadec-9-ene
SMILESCCCCCCC(C)C/C=C/CCC(CC)CCCCCC
InChIInChI=1S/C22H44/c1-5-8-10-13-17-21(4)18-14-12-16-20-22(7-3)19-15-11-9-6-2/h12,14,21-22H,5-11,13,15-20H2,1-4H3/b14-12+
InChIKeyCVDADBZCNFGJPK-WYMLVPIESA-N
MW308.59 g/mol
LogP8.32
Rot. Bonds16

About (E)-13-ethyl-7-methylnonadec-9-ene

(E)-13-ethyl-7-methylnonadec-9-ene (PubChem CID 173194422) has the molecular formula C22H44 and a molecular weight of 308.59 g/mol. Its IUPAC name is (E)-13-ethyl-7-methylnonadec-9-ene.

Molecular Properties

Compound Name(E)-13-ethyl-7-methylnonadec-9-ene
PubChem CID173194422
Molecular FormulaC22H44
Molecular Weight308.59 g/mol
Exact Mass308.34
IUPAC Name(E)-13-ethyl-7-methylnonadec-9-ene
SMILESCCCCCCC(C)C/C=C/CCC(CC)CCCCCC
InChIInChI=1S/C22H44/c1-5-8-10-13-17-21(4)18-14-12-16-20-22(7-3)19-15-11-9-6-2/h12,14,21-22H,5-11,13,15-20H2,1-4H3/b14-12+
InChIKeyCVDADBZCNFGJPK-WYMLVPIESA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.59
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-18-ethyl-9,27,29-trimethyltetratriacont-6-ene
CID 174139015
(E)-5,11-dimethylheptadec-8-ene
CID 173194605
(E)-10-methyloctadec-7-ene
CID 173194246
9,16-dimethyltetracos-11-ene
CID 123705440
8-methyltridec-5-ene
CID 123857568
(E)-5-methyltetradec-7-ene
CID 173194503
(E)-19-ethylhexacos-12-ene
CID 173194168
16-ethylhenicos-6-ene
CID 173194293
(E)-14-ethylnonadec-7-ene
CID 173194393
16-ethyldocos-10-ene
CID 91389222
(E)-6-methylhexadec-3-ene
CID 173194211
(E)-4,9-dimethyltetradec-6-ene
CID 173273385

Frequently Asked Questions

What is the IUPAC name of (E)-13-ethyl-7-methylnonadec-9-ene?
The IUPAC name of (E)-13-ethyl-7-methylnonadec-9-ene (CID 173194422) is (E)-13-ethyl-7-methylnonadec-9-ene.
What is the SMILES notation for (E)-13-ethyl-7-methylnonadec-9-ene?
The canonical SMILES for (E)-13-ethyl-7-methylnonadec-9-ene is CCCCCCC(C)C/C=C/CCC(CC)CCCCCC.
What is the InChIKey of (E)-13-ethyl-7-methylnonadec-9-ene?
The InChIKey is CVDADBZCNFGJPK-WYMLVPIESA-N. The full InChI is InChI=1S/C22H44/c1-5-8-10-13-17-21(4)18-14-12-16-20-22(7-3)19-15-11-9-6-2/h12,14,21-22H,5-11,13,15-20H2,1-4H3/b14-12+.
What are the key properties of (E)-13-ethyl-7-methylnonadec-9-ene?
(E)-13-ethyl-7-methylnonadec-9-ene has a molecular weight of 308.59 g/mol, XLogP of 8.32, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-13-ethyl-7-methylnonadec-9-ene is sourced from PubChem (CID 173194422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).