1,3-bis(prop-1-en-2-yl)cyclobutane

C10H16 — CID 549387

IUPAC1,3-bis(prop-1-en-2-yl)cyclobutane
SMILESC=C(C)C1CC(C(=C)C)C1
InChIInChI=1S/C10H16/c1-7(2)9-5-10(6-9)8(3)4/h9-10H,1,3,5-6H2,2,4H3
InChIKeyADSFCBHZSLUBCQ-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds2

About 1,3-bis(prop-1-en-2-yl)cyclobutane

1,3-bis(prop-1-en-2-yl)cyclobutane (PubChem CID 549387) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,3-bis(prop-1-en-2-yl)cyclobutane.

Molecular Properties

Compound Name1,3-bis(prop-1-en-2-yl)cyclobutane
PubChem CID549387
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,3-bis(prop-1-en-2-yl)cyclobutane
SMILESC=C(C)C1CC(C(=C)C)C1
InChIInChI=1S/C10H16/c1-7(2)9-5-10(6-9)8(3)4/h9-10H,1,3,5-6H2,2,4H3
InChIKeyADSFCBHZSLUBCQ-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-1-en-2-yl)cyclobutane?
The IUPAC name of 1,3-bis(prop-1-en-2-yl)cyclobutane (CID 549387) is 1,3-bis(prop-1-en-2-yl)cyclobutane.
What is the SMILES notation for 1,3-bis(prop-1-en-2-yl)cyclobutane?
The canonical SMILES for 1,3-bis(prop-1-en-2-yl)cyclobutane is C=C(C)C1CC(C(=C)C)C1.
What is the InChIKey of 1,3-bis(prop-1-en-2-yl)cyclobutane?
The InChIKey is ADSFCBHZSLUBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7(2)9-5-10(6-9)8(3)4/h9-10H,1,3,5-6H2,2,4H3.
What are the key properties of 1,3-bis(prop-1-en-2-yl)cyclobutane?
1,3-bis(prop-1-en-2-yl)cyclobutane has a molecular weight of 136.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-en-2-yl)cyclobutane is sourced from PubChem (CID 549387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).