1,3-di(propylidene)cyclobutane

C10H16 — CID 123878518

IUPAC1,3-di(propylidene)cyclobutane
SMILESCCC=C1CC(=CCC)C1
InChIInChI=1S/C10H16/c1-3-5-9-7-10(8-9)6-4-2/h5-6H,3-4,7-8H2,1-2H3/b9-5-,10-6+
InChIKeyDXVFAITXXLUXAF-VTBWALSUSA-N
MW136.24 g/mol
LogP3.45
Rot. Bonds2

About 1,3-di(propylidene)cyclobutane

1,3-di(propylidene)cyclobutane (PubChem CID 123878518) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,3-di(propylidene)cyclobutane.

Molecular Properties

Compound Name1,3-di(propylidene)cyclobutane
PubChem CID123878518
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,3-di(propylidene)cyclobutane
SMILESCCC=C1CC(=CCC)C1
InChIInChI=1S/C10H16/c1-3-5-9-7-10(8-9)6-4-2/h5-6H,3-4,7-8H2,1-2H3/b9-5-,10-6+
InChIKeyDXVFAITXXLUXAF-VTBWALSUSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.45
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

but-1-ene;propylidenecyclopropane
CID 23054525
(4Z)-7-propylidenecycloocta-1,4-diene
CID 177007426
(3Z)-1-methyl-3-propylidenecyclopentane
CID 144536317
3-propylidenecyclopentan-1-amine
CID 79876230
3-propylidenepiperidine
CID 66869836
4-methylpent-1-ene;propylidenecyclopropane
CID 173050388
(4E)-4-propylidenecyclohexane-1,2-diol
CID 68778200
bis(but-2-ene);1-methyl-3-propylidenecyclopentane
CID 173439667
(1S,3E)-3-propylidenecyclohexan-1-ol
CID 88974984
1-(2-bromoethyl)-4-propylidenecyclohexane
CID 18787862
1-(2-methylbutylidene)-2-propylidenecyclopropane
CID 123354502
[(2Z)-2-propylideneaziridin-1-yl]phosphane
CID 163423533

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propylidene)cyclobutane?
The IUPAC name of 1,3-di(propylidene)cyclobutane (CID 123878518) is 1,3-di(propylidene)cyclobutane.
What is the SMILES notation for 1,3-di(propylidene)cyclobutane?
The canonical SMILES for 1,3-di(propylidene)cyclobutane is CCC=C1CC(=CCC)C1.
What is the InChIKey of 1,3-di(propylidene)cyclobutane?
The InChIKey is DXVFAITXXLUXAF-VTBWALSUSA-N. The full InChI is InChI=1S/C10H16/c1-3-5-9-7-10(8-9)6-4-2/h5-6H,3-4,7-8H2,1-2H3/b9-5-,10-6+.
What are the key properties of 1,3-di(propylidene)cyclobutane?
1,3-di(propylidene)cyclobutane has a molecular weight of 136.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propylidene)cyclobutane is sourced from PubChem (CID 123878518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).