(3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane

C21H36 — CID 123248787

IUPAC(3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane
SMILESC=C(C)C(=CCCCC)C=C(C(C)CC)C(C)C1CCC1
InChIInChI=1S/C21H36/c1-7-9-10-12-20(16(3)4)15-21(17(5)8-2)18(6)19-13-11-14-19/h12,15,17-19H,3,7-11,13-14H2,1-2,4-6H3
InChIKeyKPBLLIJVVHGDJP-UHFFFAOYSA-N
MW288.52 g/mol
LogP7.09
Rot. Bonds9

About (3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane

(3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane (PubChem CID 123248787) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is (3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane.

Molecular Properties

Compound Name(3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane
PubChem CID123248787
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name(3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane
SMILESC=C(C)C(=CCCCC)C=C(C(C)CC)C(C)C1CCC1
InChIInChI=1S/C21H36/c1-7-9-10-12-20(16(3)4)15-21(17(5)8-2)18(6)19-13-11-14-19/h12,15,17-19H,3,7-11,13-14H2,1-2,4-6H3
InChIKeyKPBLLIJVVHGDJP-UHFFFAOYSA-N
XLogP7.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane?
The IUPAC name of (3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane (CID 123248787) is (3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane.
What is the SMILES notation for (3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane?
The canonical SMILES for (3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane is C=C(C)C(=CCCCC)C=C(C(C)CC)C(C)C1CCC1.
What is the InChIKey of (3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane?
The InChIKey is KPBLLIJVVHGDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-7-9-10-12-20(16(3)4)15-21(17(5)8-2)18(6)19-13-11-14-19/h12,15,17-19H,3,7-11,13-14H2,1-2,4-6H3.
What are the key properties of (3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane?
(3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane has a molecular weight of 288.52 g/mol, XLogP of 7.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yl-5-prop-1-en-2-yldeca-3,5-dien-2-yl)cyclobutane is sourced from PubChem (CID 123248787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).