3,4-dimethylidene-1,2-dipentylcyclobutene

C16H26 — CID 14291121

IUPAC3,4-dimethylidene-1,2-dipentylcyclobutene
SMILESC=C1C(=C)C(CCCCC)=C1CCCCC
InChIInChI=1S/C16H26/c1-5-7-9-11-15-13(3)14(4)16(15)12-10-8-6-2/h3-12H2,1-2H3
InChIKeyXIBDZBDLASSHLU-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.57
Rot. Bonds8

About 3,4-dimethylidene-1,2-dipentylcyclobutene

3,4-dimethylidene-1,2-dipentylcyclobutene (PubChem CID 14291121) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 3,4-dimethylidene-1,2-dipentylcyclobutene.

Molecular Properties

Compound Name3,4-dimethylidene-1,2-dipentylcyclobutene
PubChem CID14291121
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name3,4-dimethylidene-1,2-dipentylcyclobutene
SMILESC=C1C(=C)C(CCCCC)=C1CCCCC
InChIInChI=1S/C16H26/c1-5-7-9-11-15-13(3)14(4)16(15)12-10-8-6-2/h3-12H2,1-2H3
InChIKeyXIBDZBDLASSHLU-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,8-Dibutyldodeca-5,7-diene
CID 13639295
1-Methyl-2-(prop-1-en-2-yl)cyclohex-1-ene
CID 22321479
1-Isopropylidene-3-n-butyl-2-cyclobutene
CID 10261257
1,2-Dipropyl-cyclobutene
CID 10630563
2,2'-Dimethyl-1,1'-bi(cyclooctene)
CID 13554123
1,2-Dimethyl-3-prop-1-enylidenecyclohexene
CID 14570813
5,6-Dipropyldeca-4,6-diene
CID 11123092
Cyclobutene, dimethylbis(methylene)-
CID 11137114
1,2-Diethyl-3,4-bis(methylene)cyclobutene
CID 14291124
6,9-Dipentyltetradeca-6,8-diene
CID 85652530
Diisoprenyl-cyclohexene
CID 172876360
Cyclotetradecene, 1,2-dimethyl-
CID 5376356

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylidene-1,2-dipentylcyclobutene?
The IUPAC name of 3,4-dimethylidene-1,2-dipentylcyclobutene (CID 14291121) is 3,4-dimethylidene-1,2-dipentylcyclobutene.
What is the SMILES notation for 3,4-dimethylidene-1,2-dipentylcyclobutene?
The canonical SMILES for 3,4-dimethylidene-1,2-dipentylcyclobutene is C=C1C(=C)C(CCCCC)=C1CCCCC.
What is the InChIKey of 3,4-dimethylidene-1,2-dipentylcyclobutene?
The InChIKey is XIBDZBDLASSHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-5-7-9-11-15-13(3)14(4)16(15)12-10-8-6-2/h3-12H2,1-2H3.
What are the key properties of 3,4-dimethylidene-1,2-dipentylcyclobutene?
3,4-dimethylidene-1,2-dipentylcyclobutene has a molecular weight of 218.38 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylidene-1,2-dipentylcyclobutene is sourced from PubChem (CID 14291121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).