1-ethyl-2-propyltricyclo[1.1.0.02,4]butane

C9H14 — CID 91533705

IUPAC1-ethyl-2-propyltricyclo[1.1.0.02,4]butane
SMILESCCCC12C3C1C32CC
InChIInChI=1S/C9H14/c1-3-5-9-6-7(9)8(6,9)4-2/h6-7H,3-5H2,1-2H3
InChIKeyLKXHZXVQONKEKF-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.44
Rot. Bonds3

About 1-ethyl-2-propyltricyclo[1.1.0.02,4]butane

1-ethyl-2-propyltricyclo[1.1.0.02,4]butane (PubChem CID 91533705) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-ethyl-2-propyltricyclo[1.1.0.02,4]butane.

Molecular Properties

Compound Name1-ethyl-2-propyltricyclo[1.1.0.02,4]butane
PubChem CID91533705
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-ethyl-2-propyltricyclo[1.1.0.02,4]butane
SMILESCCCC12C3C1C32CC
InChIInChI=1S/C9H14/c1-3-5-9-6-7(9)8(6,9)4-2/h6-7H,3-5H2,1-2H3
InChIKeyLKXHZXVQONKEKF-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane
CID 157129502
1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane
CID 123467509
1-ethyl-2,5-dimethyl-1-propylcyclopentane
CID 145269100
(2,2,3-trimethyl-3-propylcyclopropyl)methanamine
CID 126974715
2,3-diethyl-1-methyl-1-propylcyclopropane
CID 91292354
1,1,2,3-tetramethyl-2-propylcyclopropane
CID 90999525
1-ethyl-3,5-dipropyladamantane
CID 609649
2,4-dimethyl-2-propylbicyclo[1.1.0]butane
CID 91359632
1-ethyl-1-propylcyclobutane
CID 58586108
ethane;1-ethyl-1-propylcyclopropane;propane
CID 177054904
2,3-dimethyl-2-propylaziridine
CID 123992321
4-ethyl-4-propylcyclohexan-1-ol
CID 91476830

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propyltricyclo[1.1.0.02,4]butane?
The IUPAC name of 1-ethyl-2-propyltricyclo[1.1.0.02,4]butane (CID 91533705) is 1-ethyl-2-propyltricyclo[1.1.0.02,4]butane.
What is the SMILES notation for 1-ethyl-2-propyltricyclo[1.1.0.02,4]butane?
The canonical SMILES for 1-ethyl-2-propyltricyclo[1.1.0.02,4]butane is CCCC12C3C1C32CC.
What is the InChIKey of 1-ethyl-2-propyltricyclo[1.1.0.02,4]butane?
The InChIKey is LKXHZXVQONKEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-5-9-6-7(9)8(6,9)4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-2-propyltricyclo[1.1.0.02,4]butane?
1-ethyl-2-propyltricyclo[1.1.0.02,4]butane has a molecular weight of 122.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propyltricyclo[1.1.0.02,4]butane is sourced from PubChem (CID 91533705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).