3-propylhex-1-ynylcyclohexane

C15H26 — CID 174832494

IUPAC3-propylhex-1-ynylcyclohexane
SMILESCCCC(C#CC1CCCCC1)CCC
InChIInChI=1S/C15H26/c1-3-8-14(9-4-2)12-13-15-10-6-5-7-11-15/h14-15H,3-11H2,1-2H3
InChIKeyHSHUWONJYGJQMN-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.79
Rot. Bonds4

About 3-propylhex-1-ynylcyclohexane

3-propylhex-1-ynylcyclohexane (PubChem CID 174832494) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 3-propylhex-1-ynylcyclohexane.

Molecular Properties

Compound Name3-propylhex-1-ynylcyclohexane
PubChem CID174832494
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name3-propylhex-1-ynylcyclohexane
SMILESCCCC(C#CC1CCCCC1)CCC
InChIInChI=1S/C15H26/c1-3-8-14(9-4-2)12-13-15-10-6-5-7-11-15/h14-15H,3-11H2,1-2H3
InChIKeyHSHUWONJYGJQMN-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.79
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 3-propylhex-1-ynylcyclohexane?
The IUPAC name of 3-propylhex-1-ynylcyclohexane (CID 174832494) is 3-propylhex-1-ynylcyclohexane.
What is the SMILES notation for 3-propylhex-1-ynylcyclohexane?
The canonical SMILES for 3-propylhex-1-ynylcyclohexane is CCCC(C#CC1CCCCC1)CCC.
What is the InChIKey of 3-propylhex-1-ynylcyclohexane?
The InChIKey is HSHUWONJYGJQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-3-8-14(9-4-2)12-13-15-10-6-5-7-11-15/h14-15H,3-11H2,1-2H3.
What are the key properties of 3-propylhex-1-ynylcyclohexane?
3-propylhex-1-ynylcyclohexane has a molecular weight of 206.37 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylhex-1-ynylcyclohexane is sourced from PubChem (CID 174832494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).