1-oct-1-en-2-yloxydodecane

C20H40O — CID 58247133

IUPAC1-oct-1-en-2-yloxydodecane
SMILESC=C(CCCCCC)OCCCCCCCCCCCC
InChIInChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-17-19-21-20(3)18-16-9-7-5-2/h3-19H2,1-2H3
InChIKeyHSDKUVBNQZKLRJ-UHFFFAOYSA-N
MW296.54 g/mol
LogP7.41
Rot. Bonds17

About 1-oct-1-en-2-yloxydodecane

1-oct-1-en-2-yloxydodecane (PubChem CID 58247133) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-oct-1-en-2-yloxydodecane.

Molecular Properties

Compound Name1-oct-1-en-2-yloxydodecane
PubChem CID58247133
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name1-oct-1-en-2-yloxydodecane
SMILESC=C(CCCCCC)OCCCCCCCCCCCC
InChIInChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-17-19-21-20(3)18-16-9-7-5-2/h3-19H2,1-2H3
InChIKeyHSDKUVBNQZKLRJ-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

1-(5-bromopent-1-en-2-yloxy)pentadecane
CID 88529560
2-icos-1-en-2-yloxyethanol
CID 141375140
1-but-1-en-2-yloxyhexane
CID 57257919
4-undec-1-en-2-yloxybutanal
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5-icosoxyhex-5-en-2-one
CID 143854633
ethane;3-[heptyl(6-undec-1-en-2-yloxyhexyl)amino]propan-1-ol;propane
CID 170615596
2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
2-(oct-1-en-2-yloxymethoxy)ethanol
CID 87894197
2-methoxyicos-1-ene
CID 175283491
heptyl 2-methylideneundecanoate
CID 176549260
octadecyl 2-methylideneicosanoate
CID 57219526
nonyl 2-methylideneundecanoate
CID 142441213

Frequently Asked Questions

What is the IUPAC name of 1-oct-1-en-2-yloxydodecane?
The IUPAC name of 1-oct-1-en-2-yloxydodecane (CID 58247133) is 1-oct-1-en-2-yloxydodecane.
What is the SMILES notation for 1-oct-1-en-2-yloxydodecane?
The canonical SMILES for 1-oct-1-en-2-yloxydodecane is C=C(CCCCCC)OCCCCCCCCCCCC.
What is the InChIKey of 1-oct-1-en-2-yloxydodecane?
The InChIKey is HSDKUVBNQZKLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-4-6-8-10-11-12-13-14-15-17-19-21-20(3)18-16-9-7-5-2/h3-19H2,1-2H3.
What are the key properties of 1-oct-1-en-2-yloxydodecane?
1-oct-1-en-2-yloxydodecane has a molecular weight of 296.54 g/mol, XLogP of 7.41, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-1-en-2-yloxydodecane is sourced from PubChem (CID 58247133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).