prop-2-enoxycyclohexane

C9H16O — CID 11804844

IUPACprop-2-enoxycyclohexane
SMILESC=CCOC1CCCCC1
InChIInChI=1S/C9H16O/c1-2-8-10-9-6-4-3-5-7-9/h2,9H,1,3-8H2
InChIKeyCDXZRBLOGJXGTN-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.52
Rot. Bonds3

About prop-2-enoxycyclohexane

prop-2-enoxycyclohexane (PubChem CID 11804844) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is prop-2-enoxycyclohexane.

Molecular Properties

Compound Nameprop-2-enoxycyclohexane
PubChem CID11804844
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Nameprop-2-enoxycyclohexane
SMILESC=CCOC1CCCCC1
InChIInChI=1S/C9H16O/c1-2-8-10-9-6-4-3-5-7-9/h2,9H,1,3-8H2
InChIKeyCDXZRBLOGJXGTN-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enoxycyclohexane?
The IUPAC name of prop-2-enoxycyclohexane (CID 11804844) is prop-2-enoxycyclohexane.
What is the SMILES notation for prop-2-enoxycyclohexane?
The canonical SMILES for prop-2-enoxycyclohexane is C=CCOC1CCCCC1.
What is the InChIKey of prop-2-enoxycyclohexane?
The InChIKey is CDXZRBLOGJXGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-8-10-9-6-4-3-5-7-9/h2,9H,1,3-8H2.
What are the key properties of prop-2-enoxycyclohexane?
prop-2-enoxycyclohexane has a molecular weight of 140.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoxycyclohexane is sourced from PubChem (CID 11804844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).