5-ethyl-2,8-dimethyl-5-propan-2-ylnonane

C16H34 — CID 123397627

IUPAC5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
SMILESCCC(CCC(C)C)(CCC(C)C)C(C)C
InChIInChI=1S/C16H34/c1-8-16(15(6)7,11-9-13(2)3)12-10-14(4)5/h13-15H,8-12H2,1-7H3
InChIKeyRLWBEAFHWAIQLA-UHFFFAOYSA-N
MW226.45 g/mol
LogP5.91
Rot. Bonds8

About 5-ethyl-2,8-dimethyl-5-propan-2-ylnonane

5-ethyl-2,8-dimethyl-5-propan-2-ylnonane (PubChem CID 123397627) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 5-ethyl-2,8-dimethyl-5-propan-2-ylnonane.

Molecular Properties

Compound Name5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
PubChem CID123397627
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name5-ethyl-2,8-dimethyl-5-propan-2-ylnonane
SMILESCCC(CCC(C)C)(CCC(C)C)C(C)C
InChIInChI=1S/C16H34/c1-8-16(15(6)7,11-9-13(2)3)12-10-14(4)5/h13-15H,8-12H2,1-7H3
InChIKeyRLWBEAFHWAIQLA-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,3-diethyl-2-methylpentane;ethane
CID 163394660
3-ethyl-2,3,6-trimethylheptane
CID 53428909
5-ethyl-5-propan-2-yltetradecane
CID 123207557
3,3-bis(methoxymethyl)-2,6-dimethylheptane;3,3-bis(methoxymethyl)-2,4-dimethylpentane
CID 22373213
5-ethyl-2,8-dimethyl-5-pentan-3-yltridecane
CID 123877125
4,4-diethyl-2,7-dimethyloctane
CID 57492571
3-(methoxymethyl)-6-methyl-3-propan-2-ylheptan-1-ol
CID 170393196
3,6-dimethylheptan-3-amine;ethane
CID 156844908
3,3-diethyl-2-methyldodecane
CID 151072312
2-(3-methylbutyl)-2-propan-2-ylpropane-1,3-diol;bis(prop-2-enoic acid)
CID 86597798
3,3-bis(methoxymethyl)-2-methylpentane
CID 89106557
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,8-dimethyl-5-propan-2-ylnonane?
The IUPAC name of 5-ethyl-2,8-dimethyl-5-propan-2-ylnonane (CID 123397627) is 5-ethyl-2,8-dimethyl-5-propan-2-ylnonane.
What is the SMILES notation for 5-ethyl-2,8-dimethyl-5-propan-2-ylnonane?
The canonical SMILES for 5-ethyl-2,8-dimethyl-5-propan-2-ylnonane is CCC(CCC(C)C)(CCC(C)C)C(C)C.
What is the InChIKey of 5-ethyl-2,8-dimethyl-5-propan-2-ylnonane?
The InChIKey is RLWBEAFHWAIQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-8-16(15(6)7,11-9-13(2)3)12-10-14(4)5/h13-15H,8-12H2,1-7H3.
What are the key properties of 5-ethyl-2,8-dimethyl-5-propan-2-ylnonane?
5-ethyl-2,8-dimethyl-5-propan-2-ylnonane has a molecular weight of 226.45 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,8-dimethyl-5-propan-2-ylnonane is sourced from PubChem (CID 123397627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).