1,2-bis(hept-6-enoxy)cyclohexane

C20H36O2 — CID 24957909

IUPAC1,2-bis(hept-6-enoxy)cyclohexane
SMILESC=CCCCCCOC1CCCCC1OCCCCCC=C
InChIInChI=1S/C20H36O2/c1-3-5-7-9-13-17-21-19-15-11-12-16-20(19)22-18-14-10-8-6-4-2/h3-4,19-20H,1-2,5-18H2
InChIKeyUYWSQAYYWBVGEL-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.82
Rot. Bonds14

About 1,2-bis(hept-6-enoxy)cyclohexane

1,2-bis(hept-6-enoxy)cyclohexane (PubChem CID 24957909) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,2-bis(hept-6-enoxy)cyclohexane.

Molecular Properties

Compound Name1,2-bis(hept-6-enoxy)cyclohexane
PubChem CID24957909
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name1,2-bis(hept-6-enoxy)cyclohexane
SMILESC=CCCCCCOC1CCCCC1OCCCCCC=C
InChIInChI=1S/C20H36O2/c1-3-5-7-9-13-17-21-19-15-11-12-16-20(19)22-18-14-10-8-6-4-2/h3-4,19-20H,1-2,5-18H2
InChIKeyUYWSQAYYWBVGEL-UHFFFAOYSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(hept-6-enoxy)cyclohexane?
The IUPAC name of 1,2-bis(hept-6-enoxy)cyclohexane (CID 24957909) is 1,2-bis(hept-6-enoxy)cyclohexane.
What is the SMILES notation for 1,2-bis(hept-6-enoxy)cyclohexane?
The canonical SMILES for 1,2-bis(hept-6-enoxy)cyclohexane is C=CCCCCCOC1CCCCC1OCCCCCC=C.
What is the InChIKey of 1,2-bis(hept-6-enoxy)cyclohexane?
The InChIKey is UYWSQAYYWBVGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-3-5-7-9-13-17-21-19-15-11-12-16-20(19)22-18-14-10-8-6-4-2/h3-4,19-20H,1-2,5-18H2.
What are the key properties of 1,2-bis(hept-6-enoxy)cyclohexane?
1,2-bis(hept-6-enoxy)cyclohexane has a molecular weight of 308.51 g/mol, XLogP of 5.82, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(hept-6-enoxy)cyclohexane is sourced from PubChem (CID 24957909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).