1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene

C18H30 — CID 164887659

IUPAC1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene
SMILESCCCCC1=C(CCCC)C(=C(C)C)C1=C(C)C
InChIInChI=1S/C18H30/c1-7-9-11-15-16(12-10-8-2)18(14(5)6)17(15)13(3)4/h7-12H2,1-6H3
InChIKeyVXNMSGNFVVSBFP-UHFFFAOYSA-N
MW246.44 g/mol
LogP6.35
Rot. Bonds6

About 1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene

1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene (PubChem CID 164887659) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene.

Molecular Properties

Compound Name1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene
PubChem CID164887659
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene
SMILESCCCCC1=C(CCCC)C(=C(C)C)C1=C(C)C
InChIInChI=1S/C18H30/c1-7-9-11-15-16(12-10-8-2)18(14(5)6)17(15)13(3)4/h7-12H2,1-6H3
InChIKeyVXNMSGNFVVSBFP-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Trimethylnonene
CID 19373828
8-Hexadecene, 8,9-diheptyl-
CID 634521
1-Isopropylidene-3-n-butyl-2-cyclobutene
CID 10261257
1,2-Dipropyl-cyclobutene
CID 10630563
(+)-(e)-1,2-Dipentylcyclododecene
CID 13102001
2,2'-Dimethyl-1,1'-bi(cyclooctene)
CID 13554123
5,6-Dipropyldeca-4,6-diene
CID 11123092
(1Z)-1,2-dimethylcyclododecene
CID 12511103
2,3-Dimethylundec-2-ene
CID 13347156

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene?
The IUPAC name of 1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene (CID 164887659) is 1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene.
What is the SMILES notation for 1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene?
The canonical SMILES for 1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene is CCCCC1=C(CCCC)C(=C(C)C)C1=C(C)C.
What is the InChIKey of 1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene?
The InChIKey is VXNMSGNFVVSBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-7-9-11-15-16(12-10-8-2)18(14(5)6)17(15)13(3)4/h7-12H2,1-6H3.
What are the key properties of 1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene?
1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene has a molecular weight of 246.44 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutyl-3,4-di(propan-2-ylidene)cyclobutene is sourced from PubChem (CID 164887659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).