buta-1,3-diynylcyclohexane

C10H12 — CID 14529098

IUPACbuta-1,3-diynylcyclohexane
SMILESC#CC#CC1CCCCC1
InChIInChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h1,10H,4-6,8-9H2
InChIKeyMGFQLUBPOFITSC-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.20
Rot. Bonds

About buta-1,3-diynylcyclohexane

buta-1,3-diynylcyclohexane (PubChem CID 14529098) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is buta-1,3-diynylcyclohexane.

Molecular Properties

Compound Namebuta-1,3-diynylcyclohexane
PubChem CID14529098
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Namebuta-1,3-diynylcyclohexane
SMILESC#CC#CC1CCCCC1
InChIInChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h1,10H,4-6,8-9H2
InChIKeyMGFQLUBPOFITSC-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-diynylcyclohexane?
The IUPAC name of buta-1,3-diynylcyclohexane (CID 14529098) is buta-1,3-diynylcyclohexane.
What is the SMILES notation for buta-1,3-diynylcyclohexane?
The canonical SMILES for buta-1,3-diynylcyclohexane is C#CC#CC1CCCCC1.
What is the InChIKey of buta-1,3-diynylcyclohexane?
The InChIKey is MGFQLUBPOFITSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h1,10H,4-6,8-9H2.
What are the key properties of buta-1,3-diynylcyclohexane?
buta-1,3-diynylcyclohexane has a molecular weight of 132.21 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diynylcyclohexane is sourced from PubChem (CID 14529098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).