6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane

C18H38 — CID 158668503

IUPAC6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane
SMILESCCC(CC)C(CC(C)C(C)(C)C)C(CC)CC
InChIInChI=1S/C18H38/c1-9-15(10-2)17(16(11-3)12-4)13-14(5)18(6,7)8/h14-17H,9-13H2,1-8H3
InChIKeyFSYLCECUNUNFNT-UHFFFAOYSA-N
MW254.50 g/mol
LogP6.55
Rot. Bonds8

About 6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane

6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane (PubChem CID 158668503) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane.

Molecular Properties

Compound Name6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane
PubChem CID158668503
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane
SMILESCCC(CC)C(CC(C)C(C)(C)C)C(CC)CC
InChIInChI=1S/C18H38/c1-9-15(10-2)17(16(11-3)12-4)13-14(5)18(6,7)8/h14-17H,9-13H2,1-8H3
InChIKeyFSYLCECUNUNFNT-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(aminomethyl)-6,7,7-trimethyloctan-4-ol
CID 65188124
2-chloro-5-ethyl-2,3,6-trimethylheptane
CID 156508677
5-bromo-2,2,3-trimethylhexane
CID 64719255
5-ethyl-2-methyl-4-pentan-3-yloctane
CID 123673781
N-ethyl-N,4,5,5-tetramethylhexan-2-amine
CID 139472811
3-tert-butyl-4-ethyl-2,2-dimethylhexane
CID 57493156
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
CID 115854187
N-ethyl-2,5,6,6-tetramethylheptan-3-amine
CID 114978235
2,3-dimethylpentane-2-thiol
CID 90985123
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
5-ethyl-6-methylhept-2-ene
CID 54081587

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane?
The IUPAC name of 6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane (CID 158668503) is 6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane.
What is the SMILES notation for 6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane?
The canonical SMILES for 6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane is CCC(CC)C(CC(C)C(C)(C)C)C(CC)CC.
What is the InChIKey of 6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane?
The InChIKey is FSYLCECUNUNFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-9-15(10-2)17(16(11-3)12-4)13-14(5)18(6,7)8/h14-17H,9-13H2,1-8H3.
What are the key properties of 6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane?
6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane has a molecular weight of 254.50 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane is sourced from PubChem (CID 158668503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).