1,2-bis(pent-2-en-3-yloxy)cyclohexane

C16H28O2 — CID 68539234

IUPAC1,2-bis(pent-2-en-3-yloxy)cyclohexane
SMILESCC=C(CC)OC1CCCCC1OC(=CC)CC
InChIInChI=1S/C16H28O2/c1-5-13(6-2)17-15-11-9-10-12-16(15)18-14(7-3)8-4/h5,7,15-16H,6,8-12H2,1-4H3
InChIKeyFKGXICVFJYKTAL-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.96
Rot. Bonds6

About 1,2-bis(pent-2-en-3-yloxy)cyclohexane

1,2-bis(pent-2-en-3-yloxy)cyclohexane (PubChem CID 68539234) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,2-bis(pent-2-en-3-yloxy)cyclohexane.

Molecular Properties

Compound Name1,2-bis(pent-2-en-3-yloxy)cyclohexane
PubChem CID68539234
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1,2-bis(pent-2-en-3-yloxy)cyclohexane
SMILESCC=C(CC)OC1CCCCC1OC(=CC)CC
InChIInChI=1S/C16H28O2/c1-5-13(6-2)17-15-11-9-10-12-16(15)18-14(7-3)8-4/h5,7,15-16H,6,8-12H2,1-4H3
InChIKeyFKGXICVFJYKTAL-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(pent-2-en-3-yloxy)cyclohexane?
The IUPAC name of 1,2-bis(pent-2-en-3-yloxy)cyclohexane (CID 68539234) is 1,2-bis(pent-2-en-3-yloxy)cyclohexane.
What is the SMILES notation for 1,2-bis(pent-2-en-3-yloxy)cyclohexane?
The canonical SMILES for 1,2-bis(pent-2-en-3-yloxy)cyclohexane is CC=C(CC)OC1CCCCC1OC(=CC)CC.
What is the InChIKey of 1,2-bis(pent-2-en-3-yloxy)cyclohexane?
The InChIKey is FKGXICVFJYKTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-5-13(6-2)17-15-11-9-10-12-16(15)18-14(7-3)8-4/h5,7,15-16H,6,8-12H2,1-4H3.
What are the key properties of 1,2-bis(pent-2-en-3-yloxy)cyclohexane?
1,2-bis(pent-2-en-3-yloxy)cyclohexane has a molecular weight of 252.40 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(pent-2-en-3-yloxy)cyclohexane is sourced from PubChem (CID 68539234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).