pent-1-enoxymethylcyclohexane

C12H22O — CID 173272895

IUPACpent-1-enoxymethylcyclohexane
SMILESCCCC=COCC1CCCCC1
InChIInChI=1S/C12H22O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h7,10,12H,2-6,8-9,11H2,1H3
InChIKeyKFUICJXEUNOLPB-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.90
Rot. Bonds5

About pent-1-enoxymethylcyclohexane

pent-1-enoxymethylcyclohexane (PubChem CID 173272895) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is pent-1-enoxymethylcyclohexane.

Molecular Properties

Compound Namepent-1-enoxymethylcyclohexane
PubChem CID173272895
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Namepent-1-enoxymethylcyclohexane
SMILESCCCC=COCC1CCCCC1
InChIInChI=1S/C12H22O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h7,10,12H,2-6,8-9,11H2,1H3
InChIKeyKFUICJXEUNOLPB-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pent-1-enoxymethylcyclohexane?
The IUPAC name of pent-1-enoxymethylcyclohexane (CID 173272895) is pent-1-enoxymethylcyclohexane.
What is the SMILES notation for pent-1-enoxymethylcyclohexane?
The canonical SMILES for pent-1-enoxymethylcyclohexane is CCCC=COCC1CCCCC1.
What is the InChIKey of pent-1-enoxymethylcyclohexane?
The InChIKey is KFUICJXEUNOLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12/h7,10,12H,2-6,8-9,11H2,1H3.
What are the key properties of pent-1-enoxymethylcyclohexane?
pent-1-enoxymethylcyclohexane has a molecular weight of 182.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-enoxymethylcyclohexane is sourced from PubChem (CID 173272895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).