8-ethyl-7-methylhexadecane

C19H40 — CID 56974440

IUPAC8-ethyl-7-methylhexadecane
SMILESCCCCCCCCC(CC)C(C)CCCCCC
InChIInChI=1S/C19H40/c1-5-8-10-12-13-15-17-19(7-3)18(4)16-14-11-9-6-2/h18-19H,5-17H2,1-4H3
InChIKeyJYQHWASUPPGSLC-UHFFFAOYSA-N
MW268.53 g/mol
LogP7.37
Rot. Bonds14

About 8-ethyl-7-methylhexadecane

8-ethyl-7-methylhexadecane (PubChem CID 56974440) has the molecular formula C19H40 and a molecular weight of 268.53 g/mol. Its IUPAC name is 8-ethyl-7-methylhexadecane.

Molecular Properties

Compound Name8-ethyl-7-methylhexadecane
PubChem CID56974440
Molecular FormulaC19H40
Molecular Weight268.53 g/mol
Exact Mass268.31
IUPAC Name8-ethyl-7-methylhexadecane
SMILESCCCCCCCCC(CC)C(C)CCCCCC
InChIInChI=1S/C19H40/c1-5-8-10-12-13-15-17-19(7-3)18(4)16-14-11-9-6-2/h18-19H,5-17H2,1-4H3
InChIKeyJYQHWASUPPGSLC-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.53
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 57279647
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9,10-diethyloctadecane
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5-ethyl-4-methylundecan-1-amine
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11-butyl-12-methyldocosane
CID 151619606
9-butyl-10-methyloctadecane
CID 174796911
19-heptadecan-3-ylnonatriacontane
CID 57212477
5,6-diethyldodecane
CID 90761715
6-ethyl-7-pentyltetradecane
CID 123140274
5-butyl-6-ethyldodecane
CID 529932
9-ethyl-11-methyl-10-octylnonadecane
CID 175467695
8-ethyl-9-methylhexadecanoic acid
CID 22136884

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-methylhexadecane?
The IUPAC name of 8-ethyl-7-methylhexadecane (CID 56974440) is 8-ethyl-7-methylhexadecane.
What is the SMILES notation for 8-ethyl-7-methylhexadecane?
The canonical SMILES for 8-ethyl-7-methylhexadecane is CCCCCCCCC(CC)C(C)CCCCCC.
What is the InChIKey of 8-ethyl-7-methylhexadecane?
The InChIKey is JYQHWASUPPGSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40/c1-5-8-10-12-13-15-17-19(7-3)18(4)16-14-11-9-6-2/h18-19H,5-17H2,1-4H3.
What are the key properties of 8-ethyl-7-methylhexadecane?
8-ethyl-7-methylhexadecane has a molecular weight of 268.53 g/mol, XLogP of 7.37, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-methylhexadecane is sourced from PubChem (CID 56974440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).