[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane

C13H24O — CID 14970181

IUPAC[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
SMILES[2H]/C(=C/C(C)CC)OCC1CCCCC1
InChIInChI=1S/C13H24O/c1-3-12(2)9-10-14-11-13-7-5-4-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3/b10-9-/i10D
InChIKeyFXXVGBVGYIKPFI-RMGXJPTNSA-N
MW197.34 g/mol
LogP4.14
Rot. Bonds5

About [(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane

[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane (PubChem CID 14970181) has the molecular formula C13H24O and a molecular weight of 197.34 g/mol. Its IUPAC name is [(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane.

Molecular Properties

Compound Name[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
PubChem CID14970181
Molecular FormulaC13H24O
Molecular Weight197.34 g/mol
Exact Mass197.19
IUPAC Name[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
SMILES[2H]/C(=C/C(C)CC)OCC1CCCCC1
InChIInChI=1S/C13H24O/c1-3-12(2)9-10-14-11-13-7-5-4-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3/b10-9-/i10D
InChIKeyFXXVGBVGYIKPFI-RMGXJPTNSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.34
LogP ≤ 54.14
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 [(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane?
The IUPAC name of [(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane (CID 14970181) is [(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane.
What is the SMILES notation for [(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane?
The canonical SMILES for [(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane is [2H]/C(=C/C(C)CC)OCC1CCCCC1.
What is the InChIKey of [(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane?
The InChIKey is FXXVGBVGYIKPFI-RMGXJPTNSA-N. The full InChI is InChI=1S/C13H24O/c1-3-12(2)9-10-14-11-13-7-5-4-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3/b10-9-/i10D.
What are the key properties of [(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane?
[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane has a molecular weight of 197.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane is sourced from PubChem (CID 14970181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).