prop-2-ynylcycloheptane

C10H16 — CID 19757507

IUPACprop-2-ynylcycloheptane
SMILESC#CCC1CCCCCC1
InChIInChI=1S/C10H16/c1-2-7-10-8-5-3-4-6-9-10/h1,10H,3-9H2
InChIKeyWXOBRPHGBIXJJS-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.98
Rot. Bonds1

About prop-2-ynylcycloheptane

prop-2-ynylcycloheptane (PubChem CID 19757507) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is prop-2-ynylcycloheptane.

Molecular Properties

Compound Nameprop-2-ynylcycloheptane
PubChem CID19757507
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Nameprop-2-ynylcycloheptane
SMILESC#CCC1CCCCCC1
InChIInChI=1S/C10H16/c1-2-7-10-8-5-3-4-6-9-10/h1,10H,3-9H2
InChIKeyWXOBRPHGBIXJJS-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 prop-2-ynylcycloheptane?
The IUPAC name of prop-2-ynylcycloheptane (CID 19757507) is prop-2-ynylcycloheptane.
What is the SMILES notation for prop-2-ynylcycloheptane?
The canonical SMILES for prop-2-ynylcycloheptane is C#CCC1CCCCCC1.
What is the InChIKey of prop-2-ynylcycloheptane?
The InChIKey is WXOBRPHGBIXJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-7-10-8-5-3-4-6-9-10/h1,10H,3-9H2.
What are the key properties of prop-2-ynylcycloheptane?
prop-2-ynylcycloheptane 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 prop-2-ynylcycloheptane is sourced from PubChem (CID 19757507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).