3-propa-1,2-dienyl-oxacyclohexadecane

C18H32O — CID 175329781

IUPAC3-propa-1,2-dienyl-oxacyclohexadecane
SMILESC=C=CC1CCCCCCCCCCCCCOC1
InChIInChI=1S/C18H32O/c1-2-14-18-15-12-10-8-6-4-3-5-7-9-11-13-16-19-17-18/h14,18H,1,3-13,15-17H2
InChIKeySSDJKBOZXMAXMU-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.66
Rot. Bonds1

About 3-propa-1,2-dienyl-oxacyclohexadecane

3-propa-1,2-dienyl-oxacyclohexadecane (PubChem CID 175329781) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 3-propa-1,2-dienyl-oxacyclohexadecane.

Molecular Properties

Compound Name3-propa-1,2-dienyl-oxacyclohexadecane
PubChem CID175329781
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name3-propa-1,2-dienyl-oxacyclohexadecane
SMILESC=C=CC1CCCCCCCCCCCCCOC1
InChIInChI=1S/C18H32O/c1-2-14-18-15-12-10-8-6-4-3-5-7-9-11-13-16-19-17-18/h14,18H,1,3-13,15-17H2
InChIKeySSDJKBOZXMAXMU-UHFFFAOYSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propa-1,2-dienyl-oxacyclohexadecane?
The IUPAC name of 3-propa-1,2-dienyl-oxacyclohexadecane (CID 175329781) is 3-propa-1,2-dienyl-oxacyclohexadecane.
What is the SMILES notation for 3-propa-1,2-dienyl-oxacyclohexadecane?
The canonical SMILES for 3-propa-1,2-dienyl-oxacyclohexadecane is C=C=CC1CCCCCCCCCCCCCOC1.
What is the InChIKey of 3-propa-1,2-dienyl-oxacyclohexadecane?
The InChIKey is SSDJKBOZXMAXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-2-14-18-15-12-10-8-6-4-3-5-7-9-11-13-16-19-17-18/h14,18H,1,3-13,15-17H2.
What are the key properties of 3-propa-1,2-dienyl-oxacyclohexadecane?
3-propa-1,2-dienyl-oxacyclohexadecane has a molecular weight of 264.45 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propa-1,2-dienyl-oxacyclohexadecane is sourced from PubChem (CID 175329781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).