3-methylbuta-1,3-dien-2-ylcyclohexane

C11H18 — CID 123355728

IUPAC3-methylbuta-1,3-dien-2-ylcyclohexane
SMILESC=C(C)C(=C)C1CCCCC1
InChIInChI=1S/C11H18/c1-9(2)10(3)11-7-5-4-6-8-11/h11H,1,3-8H2,2H3
InChIKeyXUCCRCNULOYDGN-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds2

About 3-methylbuta-1,3-dien-2-ylcyclohexane

3-methylbuta-1,3-dien-2-ylcyclohexane (PubChem CID 123355728) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3-methylbuta-1,3-dien-2-ylcyclohexane.

Molecular Properties

Compound Name3-methylbuta-1,3-dien-2-ylcyclohexane
PubChem CID123355728
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3-methylbuta-1,3-dien-2-ylcyclohexane
SMILESC=C(C)C(=C)C1CCCCC1
InChIInChI=1S/C11H18/c1-9(2)10(3)11-7-5-4-6-8-11/h11H,1,3-8H2,2H3
InChIKeyXUCCRCNULOYDGN-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbuta-1,3-dien-2-ylcyclohexane?
The IUPAC name of 3-methylbuta-1,3-dien-2-ylcyclohexane (CID 123355728) is 3-methylbuta-1,3-dien-2-ylcyclohexane.
What is the SMILES notation for 3-methylbuta-1,3-dien-2-ylcyclohexane?
The canonical SMILES for 3-methylbuta-1,3-dien-2-ylcyclohexane is C=C(C)C(=C)C1CCCCC1.
What is the InChIKey of 3-methylbuta-1,3-dien-2-ylcyclohexane?
The InChIKey is XUCCRCNULOYDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-9(2)10(3)11-7-5-4-6-8-11/h11H,1,3-8H2,2H3.
What are the key properties of 3-methylbuta-1,3-dien-2-ylcyclohexane?
3-methylbuta-1,3-dien-2-ylcyclohexane has a molecular weight of 150.26 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbuta-1,3-dien-2-ylcyclohexane is sourced from PubChem (CID 123355728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).