2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane

C11H20 — CID 123227664

IUPAC2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane
SMILESCCCC12CC1(C)C2(C)CC
InChIInChI=1S/C11H20/c1-5-7-11-8-10(11,4)9(11,3)6-2/h5-8H2,1-4H3
InChIKeyDQUAVDDZHAKROT-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds3

About 2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane

2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane (PubChem CID 123227664) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane
PubChem CID123227664
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane
SMILESCCCC12CC1(C)C2(C)CC
InChIInChI=1S/C11H20/c1-5-7-11-8-10(11,4)9(11,3)6-2/h5-8H2,1-4H3
InChIKeyDQUAVDDZHAKROT-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-triethyl-1,2-dimethyl-3-propylcyclobutane
CID 59073306
1-ethyl-2-methyl-2-propylcyclopropan-1-ol
CID 123991242
1-bromo-1-propylcyclohexane
CID 23364805
1,1,3-trimethyl-3-propylcyclopentane
CID 123680922
1-ethyl-2-methyl-3-propylbicyclo[1.1.0]butane
CID 123467509
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
(2,2,4,4-tetrafluoro-1-iodo-3,3-dimethyl-6-phosphanyl-6-propylcyclohexyl)phosphane
CID 170407261
[1,3,5-tripropyl-3,5-bis(sulfanylmethyl)cyclohexyl]methanethiol
CID 102497626
1-ethyl-1,2-dimethyl-2-propylaziridin-1-ium
CID 123740471
1,8-dipropyl-9-azabicyclo[6.1.1]decane
CID 166701851
2,2-dipropylcyclohexane-1,1-diamine
CID 175187242
1-ethyl-1,2,2-trimethylcyclopropane
CID 13115325

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane?
The IUPAC name of 2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane (CID 123227664) is 2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane?
The canonical SMILES for 2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane is CCCC12CC1(C)C2(C)CC.
What is the InChIKey of 2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane?
The InChIKey is DQUAVDDZHAKROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-7-11-8-10(11,4)9(11,3)6-2/h5-8H2,1-4H3.
What are the key properties of 2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane?
2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2-dimethyl-3-propylbicyclo[1.1.0]butane is sourced from PubChem (CID 123227664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).