1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane

C17H28O2 — CID 155647310

IUPAC1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane
SMILESC=CCOOC1CCC(C2CCC(C=C)CC2)CC1
InChIInChI=1S/C17H28O2/c1-3-13-18-19-17-11-9-16(10-12-17)15-7-5-14(4-2)6-8-15/h3-4,14-17H,1-2,5-13H2
InChIKeyBZAYBSMYVXEWSL-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.67
Rot. Bonds6

About 1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane

1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane (PubChem CID 155647310) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane
PubChem CID155647310
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane
SMILESC=CCOOC1CCC(C2CCC(C=C)CC2)CC1
InChIInChI=1S/C17H28O2/c1-3-13-18-19-17-11-9-16(10-12-17)15-7-5-14(4-2)6-8-15/h3-4,14-17H,1-2,5-13H2
InChIKeyBZAYBSMYVXEWSL-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-2-enoxy]-4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexane
CID 130414810
1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 58555460
1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane
CID 58555888
1-ethenyl-4-(4-ethenylcyclohexyl)oxycyclohexane
CID 148702983
1-ethenyl-4-[4-(1-ethoxyethyl)cyclohexyl]cyclohexane
CID 91361324
4-(4-ethenylcyclohexyl)cyclohexan-1-ol
CID 129130656
2-ethenyl-6-(4-ethenylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139847576
1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414711
1-(2,2-difluoroethenyl)-4-[4-(4-prop-2-enoxycyclohexyl)cyclohexyl]cyclohexane
CID 130414821
3-prop-2-enylperoxythiolane 1,1-dioxide
CID 135235402
ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate
CID 89302696
ethylperoxycyclopropane
CID 142258927

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane?
The IUPAC name of 1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane (CID 155647310) is 1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane.
What is the SMILES notation for 1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane?
The canonical SMILES for 1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane is C=CCOOC1CCC(C2CCC(C=C)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane?
The InChIKey is BZAYBSMYVXEWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-13-18-19-17-11-9-16(10-12-17)15-7-5-14(4-2)6-8-15/h3-4,14-17H,1-2,5-13H2.
What are the key properties of 1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane?
1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane has a molecular weight of 264.41 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(4-prop-2-enylperoxycyclohexyl)cyclohexane is sourced from PubChem (CID 155647310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).