[(E)-pent-1-enoxy]methylcyclohexane

C12H22O — CID 173272894

IUPAC[(E)-pent-1-enoxy]methylcyclohexane
SMILESCCC/C=C/OCC1CCCCC1
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/b10-7+
InChIKeyKFUICJXEUNOLPB-JXMROGBWSA-N
MW182.31 g/mol
LogP3.90
Rot. Bonds5

About [(E)-pent-1-enoxy]methylcyclohexane

[(E)-pent-1-enoxy]methylcyclohexane (PubChem CID 173272894) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is [(E)-pent-1-enoxy]methylcyclohexane.

Molecular Properties

Compound Name[(E)-pent-1-enoxy]methylcyclohexane
PubChem CID173272894
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name[(E)-pent-1-enoxy]methylcyclohexane
SMILESCCC/C=C/OCC1CCCCC1
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/b10-7+
InChIKeyKFUICJXEUNOLPB-JXMROGBWSA-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 [(E)-pent-1-enoxy]methylcyclohexane?
The IUPAC name of [(E)-pent-1-enoxy]methylcyclohexane (CID 173272894) is [(E)-pent-1-enoxy]methylcyclohexane.
What is the SMILES notation for [(E)-pent-1-enoxy]methylcyclohexane?
The canonical SMILES for [(E)-pent-1-enoxy]methylcyclohexane is CCC/C=C/OCC1CCCCC1.
What is the InChIKey of [(E)-pent-1-enoxy]methylcyclohexane?
The InChIKey is KFUICJXEUNOLPB-JXMROGBWSA-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/b10-7+.
What are the key properties of [(E)-pent-1-enoxy]methylcyclohexane?
[(E)-pent-1-enoxy]methylcyclohexane 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 [(E)-pent-1-enoxy]methylcyclohexane is sourced from PubChem (CID 173272894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).