4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane

C16H30O2 — CID 12022129

IUPAC4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane
SMILESC=C(CCCC)C1(CCCCC)COC(C)(C)O1
InChIInChI=1S/C16H30O2/c1-6-8-10-12-16(14(3)11-9-7-2)13-17-15(4,5)18-16/h3,6-13H2,1-2,4-5H3
InChIKeyHQOSMQCWZLEXGJ-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.83
Rot. Bonds8

About 4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane

4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane (PubChem CID 12022129) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane.

Molecular Properties

Compound Name4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane
PubChem CID12022129
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane
SMILESC=C(CCCC)C1(CCCCC)COC(C)(C)O1
InChIInChI=1S/C16H30O2/c1-6-8-10-12-16(14(3)11-9-7-2)13-17-15(4,5)18-16/h3,6-13H2,1-2,4-5H3
InChIKeyHQOSMQCWZLEXGJ-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.83
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 4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane?
The IUPAC name of 4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane (CID 12022129) is 4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane.
What is the SMILES notation for 4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane?
The canonical SMILES for 4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane is C=C(CCCC)C1(CCCCC)COC(C)(C)O1.
What is the InChIKey of 4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane?
The InChIKey is HQOSMQCWZLEXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-8-10-12-16(14(3)11-9-7-2)13-17-15(4,5)18-16/h3,6-13H2,1-2,4-5H3.
What are the key properties of 4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane?
4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane has a molecular weight of 254.41 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane is sourced from PubChem (CID 12022129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).