1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane

C10H18 — CID 123467509

IUPAC1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane
SMILESCCCC12CC1(CC)C2C
InChIInChI=1S/C10H18/c1-4-6-10-7-9(10,5-2)8(10)3/h8H,4-7H2,1-3H3
InChIKeyLASXZMNDAXNMRG-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds3

About 1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane

1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane (PubChem CID 123467509) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane
PubChem CID123467509
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane
SMILESCCCC12CC1(CC)C2C
InChIInChI=1S/C10H18/c1-4-6-10-7-9(10,5-2)8(10)3/h8H,4-7H2,1-3H3
InChIKeyLASXZMNDAXNMRG-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-1,2,3,6-tetramethyl-2-propylbicyclo[2.2.0]hexane
CID 123474375
1-ethyl-2,3,3,4,5-pentamethylbicyclo[3.1.0]hexane
CID 123592730
1-ethyl-2,5-dimethyl-1-propylcyclopentane
CID 145269100
1,1,2,3-tetramethyl-2-propylcyclopropane
CID 90999525
1-ethyl-3,5-dipropyladamantane
CID 609649
2,3-dimethyl-1,1-dipropylcyclobutane
CID 143150497
1,4-diethyl-2-methyl-3-methylidenebicyclo[2.1.0]pentane
CID 123510406
4-(2-ethyl-2-hexan-2-yl-1-propylcyclopropyl)-1,2-dimethylcyclohexane
CID 91100689
[1,3,5-tripropyl-3,5-bis(sulfanylmethyl)cyclohexyl]methanethiol
CID 102497626
1-ethyl-2-propyltricyclo[1.1.0.02,4]butane
CID 91533705
(2R)-1-ethyl-1-(1-ethylcyclopentyl)-2-methylcyclopentane
CID 163427402
1-butyl-2-methyl-1-propylcyclopropane
CID 123815284

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane?
The IUPAC name of 1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane (CID 123467509) is 1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane.
What is the SMILES notation for 1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane?
The canonical SMILES for 1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane is CCCC12CC1(CC)C2C.
What is the InChIKey of 1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane?
The InChIKey is LASXZMNDAXNMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-10-7-9(10,5-2)8(10)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane?
1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane is sourced from PubChem (CID 123467509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).