1,2-dipropylcyclobutene

C10H18 — CID 10630563

IUPAC1,2-dipropylcyclobutene
SMILESCCCC1=C(CCC)CC1
InChIInChI=1S/C10H18/c1-3-5-9-7-8-10(9)6-4-2/h3-8H2,1-2H3
InChIKeyPEJOILLWOMQSPL-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.68
Rot. Bonds4

About 1,2-dipropylcyclobutene

1,2-dipropylcyclobutene (PubChem CID 10630563) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2-dipropylcyclobutene.

Molecular Properties

Compound Name1,2-dipropylcyclobutene
PubChem CID10630563
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2-dipropylcyclobutene
SMILESCCCC1=C(CCC)CC1
InChIInChI=1S/C10H18/c1-3-5-9-7-8-10(9)6-4-2/h3-8H2,1-2H3
InChIKeyPEJOILLWOMQSPL-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.68
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

Cyclopentene, 1-ethyl-2-methyl-
CID 88243
2-Methyl-2-undecene
CID 549973
1,2-Dimethylcyclohexene
CID 15480
Cyclohexene, 1-ethyl-2-methyl-
CID 88242
4-Nonene, 5-butyl-
CID 300477
7-Methyl-6-tridecene
CID 5364660
2-Heptene, 2,3-dimethyl-
CID 137816
2-Octene, 2,3-dimethyl-
CID 140599
Cycloheptene, 1,2-dimethyl-
CID 519742
2-Nonene, 3-methyl-, (E)-
CID 5366150
Bicyclo[7.7.0]hexadec-1(9)-ene
CID 534882
7-Ethylidenetridecane
CID 13258733

Frequently Asked Questions

What is the IUPAC name of 1,2-dipropylcyclobutene?
The IUPAC name of 1,2-dipropylcyclobutene (CID 10630563) is 1,2-dipropylcyclobutene.
What is the SMILES notation for 1,2-dipropylcyclobutene?
The canonical SMILES for 1,2-dipropylcyclobutene is CCCC1=C(CCC)CC1.
What is the InChIKey of 1,2-dipropylcyclobutene?
The InChIKey is PEJOILLWOMQSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-5-9-7-8-10(9)6-4-2/h3-8H2,1-2H3.
What are the key properties of 1,2-dipropylcyclobutene?
1,2-dipropylcyclobutene has a molecular weight of 138.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipropylcyclobutene is sourced from PubChem (CID 10630563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).