8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane

C19H36O3 — CID 142087296

IUPAC8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane
SMILESCCC(O)CCCCCC1CC=CC1.CCCC1OCCO1
InChIInChI=1S/C13H24O.C6H12O2/c1-2-13(14)11-5-3-4-8-12-9-6-7-10-12;1-2-3-6-7-4-5-8-6/h6-7,12-14H,2-5,8-11H2,1H3;6H,2-5H2,1H3
InChIKeyNNKKDTXESVGVKD-UHFFFAOYSA-N
MW312.49 g/mol
LogP4.83
Rot. Bonds9

About 8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane

8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane (PubChem CID 142087296) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane
PubChem CID142087296
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane
SMILESCCC(O)CCCCCC1CC=CC1.CCCC1OCCO1
InChIInChI=1S/C13H24O.C6H12O2/c1-2-13(14)11-5-3-4-8-12-9-6-7-10-12;1-2-3-6-7-4-5-8-6/h6-7,12-14H,2-5,8-11H2,1H3;6H,2-5H2,1H3
InChIKeyNNKKDTXESVGVKD-UHFFFAOYSA-N
XLogP4.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane?
The IUPAC name of 8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane (CID 142087296) is 8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane.
What is the SMILES notation for 8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane?
The canonical SMILES for 8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane is CCC(O)CCCCCC1CC=CC1.CCCC1OCCO1.
What is the InChIKey of 8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane?
The InChIKey is NNKKDTXESVGVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O.C6H12O2/c1-2-13(14)11-5-3-4-8-12-9-6-7-10-12;1-2-3-6-7-4-5-8-6/h6-7,12-14H,2-5,8-11H2,1H3;6H,2-5H2,1H3.
What are the key properties of 8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane?
8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane has a molecular weight of 312.49 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopent-3-en-1-yloctan-3-ol;2-propyl-1,3-dioxolane is sourced from PubChem (CID 142087296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).