1-cyclopropyl-3-ethylcyclobutane

C9H16 — CID 123813009

IUPAC1-cyclopropyl-3-ethylcyclobutane
SMILESCCC1CC(C2CC2)C1
InChIInChI=1S/C9H16/c1-2-7-5-9(6-7)8-3-4-8/h7-9H,2-6H2,1H3
InChIKeySKTIUSQARKKZJQ-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.83
Rot. Bonds2

About 1-cyclopropyl-3-ethylcyclobutane

1-cyclopropyl-3-ethylcyclobutane (PubChem CID 123813009) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethylcyclobutane.

Molecular Properties

Compound Name1-cyclopropyl-3-ethylcyclobutane
PubChem CID123813009
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-cyclopropyl-3-ethylcyclobutane
SMILESCCC1CC(C2CC2)C1
InChIInChI=1S/C9H16/c1-2-7-5-9(6-7)8-3-4-8/h7-9H,2-6H2,1H3
InChIKeySKTIUSQARKKZJQ-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351
(1S,5R)-3-ethylbicyclo[3.1.0]hexane
CID 154521866
(1S,3S)-3-ethylbicyclo[4.1.0]heptane
CID 143706776
2-[3-[3-(3-ethylcyclobutyl)cyclopentyl]cyclobutyl]bicyclo[2.1.0]pentane
CID 148989038
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
(3-ethylcyclopentyl)cyclohexane
CID 142208206
(3aS,6aR)-2-ethyl-5-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 177020606
3-ethyl-9-iodobicyclo[3.3.1]nonane
CID 134444057
5-[4-(3-ethylcyclobutyl)cyclohexyl]-1,2,3-trifluorobenzene
CID 67788915
2-ethyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalene
CID 91006589
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethylcyclobutane?
The IUPAC name of 1-cyclopropyl-3-ethylcyclobutane (CID 123813009) is 1-cyclopropyl-3-ethylcyclobutane.
What is the SMILES notation for 1-cyclopropyl-3-ethylcyclobutane?
The canonical SMILES for 1-cyclopropyl-3-ethylcyclobutane is CCC1CC(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-ethylcyclobutane?
The InChIKey is SKTIUSQARKKZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-2-7-5-9(6-7)8-3-4-8/h7-9H,2-6H2,1H3.
What are the key properties of 1-cyclopropyl-3-ethylcyclobutane?
1-cyclopropyl-3-ethylcyclobutane has a molecular weight of 124.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethylcyclobutane is sourced from PubChem (CID 123813009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).