1-oct-1-enoxypropylcyclohexane

C17H32O — CID 57124495

IUPAC1-oct-1-enoxypropylcyclohexane
SMILESCCCCCCC=COC(CC)C1CCCCC1
InChIInChI=1S/C17H32O/c1-3-5-6-7-8-12-15-18-17(4-2)16-13-10-9-11-14-16/h12,15-17H,3-11,13-14H2,1-2H3
InChIKeyGDUXXQOEXJZDSR-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.85
Rot. Bonds9

About 1-oct-1-enoxypropylcyclohexane

1-oct-1-enoxypropylcyclohexane (PubChem CID 57124495) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-oct-1-enoxypropylcyclohexane.

Molecular Properties

Compound Name1-oct-1-enoxypropylcyclohexane
PubChem CID57124495
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-oct-1-enoxypropylcyclohexane
SMILESCCCCCCC=COC(CC)C1CCCCC1
InChIInChI=1S/C17H32O/c1-3-5-6-7-8-12-15-18-17(4-2)16-13-10-9-11-14-16/h12,15-17H,3-11,13-14H2,1-2H3
InChIKeyGDUXXQOEXJZDSR-UHFFFAOYSA-N
XLogP5.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-oct-1-enoxypropan-1-ol
CID 166065599
[(3S,4E)-undeca-1,4-dien-3-yl]cyclohexane
CID 101458379
2-pent-1-enoxybutylcyclohexane
CID 57213042
1-[(E)-dec-1-enoxy]ethanol
CID 19982776
1-(1-ethenoxypropoxy)dec-1-ene
CID 74010568
butan-2-ylcyclohexane;heptane
CID 143477095
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
non-1-enylcyclopentane
CID 86065492
1-triacont-1-enoxytriacont-1-ene
CID 173373575

Frequently Asked Questions

What is the IUPAC name of 1-oct-1-enoxypropylcyclohexane?
The IUPAC name of 1-oct-1-enoxypropylcyclohexane (CID 57124495) is 1-oct-1-enoxypropylcyclohexane.
What is the SMILES notation for 1-oct-1-enoxypropylcyclohexane?
The canonical SMILES for 1-oct-1-enoxypropylcyclohexane is CCCCCCC=COC(CC)C1CCCCC1.
What is the InChIKey of 1-oct-1-enoxypropylcyclohexane?
The InChIKey is GDUXXQOEXJZDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-5-6-7-8-12-15-18-17(4-2)16-13-10-9-11-14-16/h12,15-17H,3-11,13-14H2,1-2H3.
What are the key properties of 1-oct-1-enoxypropylcyclohexane?
1-oct-1-enoxypropylcyclohexane has a molecular weight of 252.44 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-1-enoxypropylcyclohexane is sourced from PubChem (CID 57124495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).