3-ethyl-7-methylnonane

C12H26 — CID 526426

IUPAC3-ethyl-7-methylnonane
SMILESCCC(C)CCCC(CC)CC
InChIInChI=1S/C12H26/c1-5-11(4)9-8-10-12(6-2)7-3/h11-12H,5-10H2,1-4H3
InChIKeyFSGFZSLYTXQNCW-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.64
Rot. Bonds7

About 3-ethyl-7-methylnonane

3-ethyl-7-methylnonane (PubChem CID 526426) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 3-ethyl-7-methylnonane.

Molecular Properties

Compound Name3-ethyl-7-methylnonane
PubChem CID526426
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name3-ethyl-7-methylnonane
SMILESCCC(C)CCCC(CC)CC
InChIInChI=1S/C12H26/c1-5-11(4)9-8-10-12(6-2)7-3/h11-12H,5-10H2,1-4H3
InChIKeyFSGFZSLYTXQNCW-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
3-ethyl-8-methyldecane
CID 57490930
3-ethyl-10-methyldodecane
CID 54169175
(3R,7R)-3,7-dimethylnonane
CID 42626759
7-ethyl-3-methylundecane
CID 57085432
3,7-diethylnonane
CID 22089120
3-ethyl-6,11-dimethyltridecane
CID 123237146
6-ethyl-2-methyloctan-1-amine
CID 169188535
13-ethyl-3,8-dimethyloctadecane
CID 123214629
9-ethyl-3-methyltridecane
CID 54105230
3-methyl-7-propylundecane
CID 123449834
11-ethyl-3-methyltetradecane
CID 123200411

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methylnonane?
The IUPAC name of 3-ethyl-7-methylnonane (CID 526426) is 3-ethyl-7-methylnonane.
What is the SMILES notation for 3-ethyl-7-methylnonane?
The canonical SMILES for 3-ethyl-7-methylnonane is CCC(C)CCCC(CC)CC.
What is the InChIKey of 3-ethyl-7-methylnonane?
The InChIKey is FSGFZSLYTXQNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-5-11(4)9-8-10-12(6-2)7-3/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-ethyl-7-methylnonane?
3-ethyl-7-methylnonane has a molecular weight of 170.34 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methylnonane is sourced from PubChem (CID 526426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).