1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane

C22H38O2 — CID 67898669

IUPAC1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
SMILESC=CCOCC1CCC(C2CCC(COC=CCCC)CC2)CC1
InChIInChI=1S/C22H38O2/c1-3-5-6-16-24-18-20-9-13-22(14-10-20)21-11-7-19(8-12-21)17-23-15-4-2/h4,6,16,19-22H,2-3,5,7-15,17-18H2,1H3
InChIKeyVTSXAQNEVPWPAD-UHFFFAOYSA-N
MW334.54 g/mol
LogP6.13
Rot. Bonds10

About 1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane

1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane (PubChem CID 67898669) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
PubChem CID67898669
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane
SMILESC=CCOCC1CCC(C2CCC(COC=CCCC)CC2)CC1
InChIInChI=1S/C22H38O2/c1-3-5-6-16-24-18-20-9-13-22(14-10-20)21-11-7-19(8-12-21)17-23-15-4-2/h4,6,16,19-22H,2-3,5,7-15,17-18H2,1H3
InChIKeyVTSXAQNEVPWPAD-UHFFFAOYSA-N
XLogP6.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane (CID 67898669) is 1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane is C=CCOCC1CCC(C2CCC(COC=CCCC)CC2)CC1.
What is the InChIKey of 1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane?
The InChIKey is VTSXAQNEVPWPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-3-5-6-16-24-18-20-9-13-22(14-10-20)21-11-7-19(8-12-21)17-23-15-4-2/h4,6,16,19-22H,2-3,5,7-15,17-18H2,1H3.
What are the key properties of 1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane?
1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane has a molecular weight of 334.54 g/mol, XLogP of 6.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pent-1-enoxymethyl)-4-[4-(prop-2-enoxymethyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 67898669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).