1,2-dibutoxyoct-1-en-1-ol

C16H32O3 — CID 139902412

IUPAC1,2-dibutoxyoct-1-en-1-ol
SMILESCCCCCCC(OCCCC)=C(O)OCCCC
InChIInChI=1S/C16H32O3/c1-4-7-10-11-12-15(18-13-8-5-2)16(17)19-14-9-6-3/h17H,4-14H2,1-3H3
InChIKeyCKGAWUHTGCKVIV-UHFFFAOYSA-N
MW272.43 g/mol
LogP5.32
Rot. Bonds13

About 1,2-dibutoxyoct-1-en-1-ol

1,2-dibutoxyoct-1-en-1-ol (PubChem CID 139902412) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1,2-dibutoxyoct-1-en-1-ol.

Molecular Properties

Compound Name1,2-dibutoxyoct-1-en-1-ol
PubChem CID139902412
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name1,2-dibutoxyoct-1-en-1-ol
SMILESCCCCCCC(OCCCC)=C(O)OCCCC
InChIInChI=1S/C16H32O3/c1-4-7-10-11-12-15(18-13-8-5-2)16(17)19-14-9-6-3/h17H,4-14H2,1-3H3
InChIKeyCKGAWUHTGCKVIV-UHFFFAOYSA-N
XLogP5.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibutoxyoct-1-en-1-ol?
The IUPAC name of 1,2-dibutoxyoct-1-en-1-ol (CID 139902412) is 1,2-dibutoxyoct-1-en-1-ol.
What is the SMILES notation for 1,2-dibutoxyoct-1-en-1-ol?
The canonical SMILES for 1,2-dibutoxyoct-1-en-1-ol is CCCCCCC(OCCCC)=C(O)OCCCC.
What is the InChIKey of 1,2-dibutoxyoct-1-en-1-ol?
The InChIKey is CKGAWUHTGCKVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-4-7-10-11-12-15(18-13-8-5-2)16(17)19-14-9-6-3/h17H,4-14H2,1-3H3.
What are the key properties of 1,2-dibutoxyoct-1-en-1-ol?
1,2-dibutoxyoct-1-en-1-ol has a molecular weight of 272.43 g/mol, XLogP of 5.32, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutoxyoct-1-en-1-ol is sourced from PubChem (CID 139902412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).