1-ethyl-1-ethynylcyclohexane

C10H16 — CID 21360967

IUPAC1-ethyl-1-ethynylcyclohexane
SMILESC#CC1(CC)CCCCC1
InChIInChI=1S/C10H16/c1-3-10(4-2)8-6-5-7-9-10/h1H,4-9H2,2H3
InChIKeyUQQMJCOBMDJCPN-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.98
Rot. Bonds1

About 1-ethyl-1-ethynylcyclohexane

1-ethyl-1-ethynylcyclohexane (PubChem CID 21360967) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-ethyl-1-ethynylcyclohexane.

Molecular Properties

Compound Name1-ethyl-1-ethynylcyclohexane
PubChem CID21360967
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-ethyl-1-ethynylcyclohexane
SMILESC#CC1(CC)CCCCC1
InChIInChI=1S/C10H16/c1-3-10(4-2)8-6-5-7-9-10/h1H,4-9H2,2H3
InChIKeyUQQMJCOBMDJCPN-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.98
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 1-ethyl-1-ethynylcyclohexane?
The IUPAC name of 1-ethyl-1-ethynylcyclohexane (CID 21360967) is 1-ethyl-1-ethynylcyclohexane.
What is the SMILES notation for 1-ethyl-1-ethynylcyclohexane?
The canonical SMILES for 1-ethyl-1-ethynylcyclohexane is C#CC1(CC)CCCCC1.
What is the InChIKey of 1-ethyl-1-ethynylcyclohexane?
The InChIKey is UQQMJCOBMDJCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-10(4-2)8-6-5-7-9-10/h1H,4-9H2,2H3.
What are the key properties of 1-ethyl-1-ethynylcyclohexane?
1-ethyl-1-ethynylcyclohexane has a molecular weight of 136.24 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-ethynylcyclohexane is sourced from PubChem (CID 21360967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).