1-ethyl-1-methyl-3-non-6-enylcyclobutane

C16H30 — CID 123183084

IUPAC1-ethyl-1-methyl-3-non-6-enylcyclobutane
SMILESCCC=CCCCCCC1CC(C)(CC)C1
InChIInChI=1S/C16H30/c1-4-6-7-8-9-10-11-12-15-13-16(3,5-2)14-15/h6-7,15H,4-5,8-14H2,1-3H3
InChIKeySFTMXAIBNZCAAI-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.73
Rot. Bonds8

About 1-ethyl-1-methyl-3-non-6-enylcyclobutane

1-ethyl-1-methyl-3-non-6-enylcyclobutane (PubChem CID 123183084) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-non-6-enylcyclobutane.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-non-6-enylcyclobutane
PubChem CID123183084
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name1-ethyl-1-methyl-3-non-6-enylcyclobutane
SMILESCCC=CCCCCCC1CC(C)(CC)C1
InChIInChI=1S/C16H30/c1-4-6-7-8-9-10-11-12-15-13-16(3,5-2)14-15/h6-7,15H,4-5,8-14H2,1-3H3
InChIKeySFTMXAIBNZCAAI-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3E,16E)-nonadeca-3,16-diene
CID 157471321
1-ethyl-1-methyl-3-(5-methylhexyl)cyclobutane
CID 143683574
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-heptadec-3-ene
CID 5352250
(3E,13E)-nonadeca-3,13-diene
CID 141029609
(E)-octadec-3-ene
CID 5365984
3-oct-5-enoxypropylcyclohexane
CID 57218622
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
2-(3-ethyl-3-methylcyclobutyl)ethyl formate
CID 88860718

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-non-6-enylcyclobutane?
The IUPAC name of 1-ethyl-1-methyl-3-non-6-enylcyclobutane (CID 123183084) is 1-ethyl-1-methyl-3-non-6-enylcyclobutane.
What is the SMILES notation for 1-ethyl-1-methyl-3-non-6-enylcyclobutane?
The canonical SMILES for 1-ethyl-1-methyl-3-non-6-enylcyclobutane is CCC=CCCCCCC1CC(C)(CC)C1.
What is the InChIKey of 1-ethyl-1-methyl-3-non-6-enylcyclobutane?
The InChIKey is SFTMXAIBNZCAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-4-6-7-8-9-10-11-12-15-13-16(3,5-2)14-15/h6-7,15H,4-5,8-14H2,1-3H3.
What are the key properties of 1-ethyl-1-methyl-3-non-6-enylcyclobutane?
1-ethyl-1-methyl-3-non-6-enylcyclobutane has a molecular weight of 222.42 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-non-6-enylcyclobutane is sourced from PubChem (CID 123183084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).