9-ethyl-3,4,7-trimethyl-8-pentyltetradecane

C24H50 — CID 91411258

IUPAC9-ethyl-3,4,7-trimethyl-8-pentyltetradecane
SMILESCCCCCC(CC)C(CCCCC)C(C)CCC(C)C(C)CC
InChIInChI=1S/C24H50/c1-8-12-14-16-23(11-4)24(17-15-13-9-2)22(7)19-18-21(6)20(5)10-3/h20-24H,8-19H2,1-7H3
InChIKeyOFVHEFBBDGPIAE-UHFFFAOYSA-N
MW338.66 g/mol
LogP8.89
Rot. Bonds16

About 9-ethyl-3,4,7-trimethyl-8-pentyltetradecane

9-ethyl-3,4,7-trimethyl-8-pentyltetradecane (PubChem CID 91411258) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 9-ethyl-3,4,7-trimethyl-8-pentyltetradecane.

Molecular Properties

Compound Name9-ethyl-3,4,7-trimethyl-8-pentyltetradecane
PubChem CID91411258
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name9-ethyl-3,4,7-trimethyl-8-pentyltetradecane
SMILESCCCCCC(CC)C(CCCCC)C(C)CCC(C)C(C)CC
InChIInChI=1S/C24H50/c1-8-12-14-16-23(11-4)24(17-15-13-9-2)22(7)19-18-21(6)20(5)10-3/h20-24H,8-19H2,1-7H3
InChIKeyOFVHEFBBDGPIAE-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 58.89
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

9-ethyl-11-methyl-10-octylnonadecane
CID 175467695
4-ethyl-5-pentan-2-yldecane
CID 123912945
4-ethyl-3-methylundecane
CID 57279647
9,10-diethyloctadecane
CID 530164
3,4,7-trimethyldodecane
CID 123406738
3,4-dimethyldecane;ethane
CID 170980289
6-ethyl-7-pentyltetradecane
CID 123140274
19-heptadecan-3-ylnonatriacontane
CID 57212477
5,6-diethyldodecane
CID 90761715
8-ethyl-7-methylhexadecane
CID 56974440
5-butyl-6-ethyldodecane
CID 529932
3-methyldecan-4-amine
CID 63719252

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3,4,7-trimethyl-8-pentyltetradecane?
The IUPAC name of 9-ethyl-3,4,7-trimethyl-8-pentyltetradecane (CID 91411258) is 9-ethyl-3,4,7-trimethyl-8-pentyltetradecane.
What is the SMILES notation for 9-ethyl-3,4,7-trimethyl-8-pentyltetradecane?
The canonical SMILES for 9-ethyl-3,4,7-trimethyl-8-pentyltetradecane is CCCCCC(CC)C(CCCCC)C(C)CCC(C)C(C)CC.
What is the InChIKey of 9-ethyl-3,4,7-trimethyl-8-pentyltetradecane?
The InChIKey is OFVHEFBBDGPIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-8-12-14-16-23(11-4)24(17-15-13-9-2)22(7)19-18-21(6)20(5)10-3/h20-24H,8-19H2,1-7H3.
What are the key properties of 9-ethyl-3,4,7-trimethyl-8-pentyltetradecane?
9-ethyl-3,4,7-trimethyl-8-pentyltetradecane has a molecular weight of 338.66 g/mol, XLogP of 8.89, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3,4,7-trimethyl-8-pentyltetradecane is sourced from PubChem (CID 91411258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).