2-but-1-enyl-1,3-dimethylcyclobutane

C10H18 — CID 123646174

IUPAC2-but-1-enyl-1,3-dimethylcyclobutane
SMILESCCC=CC1C(C)CC1C
InChIInChI=1S/C10H18/c1-4-5-6-10-8(2)7-9(10)3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyCXSLKBDSGYJQGZ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds2

About 2-but-1-enyl-1,3-dimethylcyclobutane

2-but-1-enyl-1,3-dimethylcyclobutane (PubChem CID 123646174) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-but-1-enyl-1,3-dimethylcyclobutane.

Molecular Properties

Compound Name2-but-1-enyl-1,3-dimethylcyclobutane
PubChem CID123646174
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-but-1-enyl-1,3-dimethylcyclobutane
SMILESCCC=CC1C(C)CC1C
InChIInChI=1S/C10H18/c1-4-5-6-10-8(2)7-9(10)3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyCXSLKBDSGYJQGZ-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.24
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

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2-but-1-enyl-3-methyloxirane
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1,2-dimethylcyclopropane;propane
CID 143337919
3-[(Z)-but-1-enyl]azetidine
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[(E)-but-1-enyl]cyclodecane
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(2R)-2-but-1-enylbicyclo[2.2.1]heptane
CID 173350379
(E)-3-[5-[(E)-but-1-enyl]-2-bicyclo[2.2.2]octanyl]prop-2-en-1-amine
CID 166929841
(2S,3S,5R)-2-[(Z)-hex-3-enyl]-3,5-dimethyloxolane
CID 90362246
3-but-1-enyl-2,2,5-trimethylcyclopentan-1-one
CID 168861670
5-but-1-enylbicyclo[2.2.1]hept-2-ene
CID 54508174
2-[(Z)-but-1-enyl]-1,1,5-trimethylcyclopentane
CID 163423842

Frequently Asked Questions

What is the IUPAC name of 2-but-1-enyl-1,3-dimethylcyclobutane?
The IUPAC name of 2-but-1-enyl-1,3-dimethylcyclobutane (CID 123646174) is 2-but-1-enyl-1,3-dimethylcyclobutane.
What is the SMILES notation for 2-but-1-enyl-1,3-dimethylcyclobutane?
The canonical SMILES for 2-but-1-enyl-1,3-dimethylcyclobutane is CCC=CC1C(C)CC1C.
What is the InChIKey of 2-but-1-enyl-1,3-dimethylcyclobutane?
The InChIKey is CXSLKBDSGYJQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-5-6-10-8(2)7-9(10)3/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 2-but-1-enyl-1,3-dimethylcyclobutane?
2-but-1-enyl-1,3-dimethylcyclobutane has a molecular weight of 138.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyl-1,3-dimethylcyclobutane is sourced from PubChem (CID 123646174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).