1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane

C26H46O2 — CID 118486049

IUPAC1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane
SMILESC=CCOC1CCC(CC(C)CC(C)(C)CC2CCC(OCC=C)CC2)CC1
InChIInChI=1S/C26H46O2/c1-6-16-27-24-12-8-22(9-13-24)18-21(3)19-26(4,5)20-23-10-14-25(15-11-23)28-17-7-2/h6-7,21-25H,1-2,8-20H2,3-5H3
InChIKeyYRHUNCUZGQSRLR-UHFFFAOYSA-N
MW390.65 g/mol
LogP7.34
Rot. Bonds12

About 1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane

1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane (PubChem CID 118486049) has the molecular formula C26H46O2 and a molecular weight of 390.65 g/mol. Its IUPAC name is 1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane.

Molecular Properties

Compound Name1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane
PubChem CID118486049
Molecular FormulaC26H46O2
Molecular Weight390.65 g/mol
Exact Mass390.35
IUPAC Name1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane
SMILESC=CCOC1CCC(CC(C)CC(C)(C)CC2CCC(OCC=C)CC2)CC1
InChIInChI=1S/C26H46O2/c1-6-16-27-24-12-8-22(9-13-24)18-21(3)19-26(4,5)20-23-10-14-25(15-11-23)28-17-7-2/h6-7,21-25H,1-2,8-20H2,3-5H3
InChIKeyYRHUNCUZGQSRLR-UHFFFAOYSA-N
XLogP7.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane?
The IUPAC name of 1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane (CID 118486049) is 1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane.
What is the SMILES notation for 1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane?
The canonical SMILES for 1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane is C=CCOC1CCC(CC(C)CC(C)(C)CC2CCC(OCC=C)CC2)CC1.
What is the InChIKey of 1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane?
The InChIKey is YRHUNCUZGQSRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O2/c1-6-16-27-24-12-8-22(9-13-24)18-21(3)19-26(4,5)20-23-10-14-25(15-11-23)28-17-7-2/h6-7,21-25H,1-2,8-20H2,3-5H3.
What are the key properties of 1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane?
1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane has a molecular weight of 390.65 g/mol, XLogP of 7.34, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-4-[2,2,4-trimethyl-5-(4-prop-2-enoxycyclohexyl)pentyl]cyclohexane is sourced from PubChem (CID 118486049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).