pent-1-enoxycyclohexane

C11H20O — CID 57231526

IUPACpent-1-enoxycyclohexane
SMILESCCCC=COC1CCCCC1
InChIInChI=1S/C11H20O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h7,10-11H,2-6,8-9H2,1H3
InChIKeyIRECCIQGBSVISW-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.65
Rot. Bonds4

About pent-1-enoxycyclohexane

pent-1-enoxycyclohexane (PubChem CID 57231526) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is pent-1-enoxycyclohexane.

Molecular Properties

Compound Namepent-1-enoxycyclohexane
PubChem CID57231526
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Namepent-1-enoxycyclohexane
SMILESCCCC=COC1CCCCC1
InChIInChI=1S/C11H20O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h7,10-11H,2-6,8-9H2,1H3
InChIKeyIRECCIQGBSVISW-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.65
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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Related Compounds

Pentyl-3,4-dihydro-2h-pyran
CID 11321071
1-Isopropoxycyclohexene
CID 4366136
2-Methyl-6-pentyl-3,4-dihydro-2h-pyran
CID 85678631
1-(Cyclohexyloxy)-1,3-butadiene
CID 53891053
Hexyl hexenyl ether
CID 54552326
[(Z)-prop-1-enoxy]cyclohexane
CID 67047375
1,4-bis[(E)-prop-1-enoxy]cyclohexane
CID 22222058
2-Pentyl-2,3-dihydrofuran
CID 15248822
[(1E)-1-bromopenta-1,4-dienoxy]cyclohexane
CID 15438979
[(1E)-1-iodopenta-1,4-dienoxy]cyclohexane
CID 15438989
[(E)-1-bromobut-1-enoxy]cyclohexane
CID 15530586
2-heptyl-3,4-dihydro-2H-pyran
CID 21596630

Frequently Asked Questions

What is the IUPAC name of pent-1-enoxycyclohexane?
The IUPAC name of pent-1-enoxycyclohexane (CID 57231526) is pent-1-enoxycyclohexane.
What is the SMILES notation for pent-1-enoxycyclohexane?
The canonical SMILES for pent-1-enoxycyclohexane is CCCC=COC1CCCCC1.
What is the InChIKey of pent-1-enoxycyclohexane?
The InChIKey is IRECCIQGBSVISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-7-10-12-11-8-5-4-6-9-11/h7,10-11H,2-6,8-9H2,1H3.
What are the key properties of pent-1-enoxycyclohexane?
pent-1-enoxycyclohexane has a molecular weight of 168.28 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-enoxycyclohexane is sourced from PubChem (CID 57231526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).