4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane

C12H20 — CID 123310816

IUPAC4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane
SMILESCC=CC1(C(C)C)C2C(CC)C21
InChIInChI=1S/C12H20/c1-5-7-12(8(3)4)10-9(6-2)11(10)12/h5,7-11H,6H2,1-4H3
InChIKeyOTJFZGKDCQABCS-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.49
Rot. Bonds3

About 4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane

4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane (PubChem CID 123310816) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane
PubChem CID123310816
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane
SMILESCC=CC1(C(C)C)C2C(CC)C21
InChIInChI=1S/C12H20/c1-5-7-12(8(3)4)10-9(6-2)11(10)12/h5,7-11H,6H2,1-4H3
InChIKeyOTJFZGKDCQABCS-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-methyl-4-propan-2-yl-3-[(E)-prop-1-enyl]cyclohexane
CID 143896517
1-(2-ethyl-3-methylcyclopropyl)-3-methylbutan-2-amine
CID 155273756
cis-(2R,3S)-2,3-diethylcyclopropan-1-amine
CID 121336325
2-ethyl-4-(2-methylpentyl)bicyclo[1.1.0]butane
CID 123239005
2-ethyl-1-methyl-1-pent-3-en-2-ylcyclopropane
CID 123462514
1,2,3-triethyl-1-penta-1,3-dien-2-yl-2-propan-2-ylcyclopropane
CID 123344294
(E)-hex-3-en-2-amine;hydrochloride
CID 55289622
(2S)-2-amino-2-[(1R,2R)-1-amino-2-ethylcyclopropyl]acetic acid
CID 11768839
(Z)-but-2-ene;(E,E)-N-methoxy-2-methylhex-3-en-1-imine
CID 143008315
(E)-2-but-2-enyl-3-methylhept-4-en-1-amine
CID 155278552
(E)-4-methylpent-2-ene;propane
CID 142019888
butan-2-ol;but-2-ene
CID 157060914

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane?
The IUPAC name of 4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane (CID 123310816) is 4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane.
What is the SMILES notation for 4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane?
The canonical SMILES for 4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane is CC=CC1(C(C)C)C2C(CC)C21.
What is the InChIKey of 4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane?
The InChIKey is OTJFZGKDCQABCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-7-12(8(3)4)10-9(6-2)11(10)12/h5,7-11H,6H2,1-4H3.
What are the key properties of 4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane?
4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane has a molecular weight of 164.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propan-2-yl-2-prop-1-enylbicyclo[1.1.0]butane is sourced from PubChem (CID 123310816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).