3-ethyl-1,1-dimethyl-2-nonylcyclobutane

C17H34 — CID 174441233

IUPAC3-ethyl-1,1-dimethyl-2-nonylcyclobutane
SMILESCCCCCCCCCC1C(CC)CC1(C)C
InChIInChI=1S/C17H34/c1-5-7-8-9-10-11-12-13-16-15(6-2)14-17(16,3)4/h15-16H,5-14H2,1-4H3
InChIKeyQAIPEQGLVLFSRE-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.20
Rot. Bonds9

About 3-ethyl-1,1-dimethyl-2-nonylcyclobutane

3-ethyl-1,1-dimethyl-2-nonylcyclobutane (PubChem CID 174441233) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 3-ethyl-1,1-dimethyl-2-nonylcyclobutane.

Molecular Properties

Compound Name3-ethyl-1,1-dimethyl-2-nonylcyclobutane
PubChem CID174441233
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name3-ethyl-1,1-dimethyl-2-nonylcyclobutane
SMILESCCCCCCCCCC1C(CC)CC1(C)C
InChIInChI=1S/C17H34/c1-5-7-8-9-10-11-12-13-16-15(6-2)14-17(16,3)4/h15-16H,5-14H2,1-4H3
InChIKeyQAIPEQGLVLFSRE-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.20
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

1,1-dimethyl-2-octylcyclopropane
CID 15329257
1-methyl-2-pentylbicyclo[1.1.0]butane
CID 90877052
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
1-methyl-3-pentylbicyclo[2.2.2]octane
CID 91181961
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
2,6-dihexylspiro[3.3]heptane
CID 58679549
1,3-dihydroxy-4,4,5,5-tetramethyl-2-tetradecylimidazolidine
CID 11610111
1-ethyl-2,3-dimethyl-4-pentylcyclohexane;octane;pentane
CID 160972744
2-nonylthietane
CID 21487379

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-dimethyl-2-nonylcyclobutane?
The IUPAC name of 3-ethyl-1,1-dimethyl-2-nonylcyclobutane (CID 174441233) is 3-ethyl-1,1-dimethyl-2-nonylcyclobutane.
What is the SMILES notation for 3-ethyl-1,1-dimethyl-2-nonylcyclobutane?
The canonical SMILES for 3-ethyl-1,1-dimethyl-2-nonylcyclobutane is CCCCCCCCCC1C(CC)CC1(C)C.
What is the InChIKey of 3-ethyl-1,1-dimethyl-2-nonylcyclobutane?
The InChIKey is QAIPEQGLVLFSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-5-7-8-9-10-11-12-13-16-15(6-2)14-17(16,3)4/h15-16H,5-14H2,1-4H3.
What are the key properties of 3-ethyl-1,1-dimethyl-2-nonylcyclobutane?
3-ethyl-1,1-dimethyl-2-nonylcyclobutane has a molecular weight of 238.46 g/mol, XLogP of 6.20, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-dimethyl-2-nonylcyclobutane is sourced from PubChem (CID 174441233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).