3-decoxy-3-ethenyldodec-1-ene

C24H46O — CID 151898066

IUPAC3-decoxy-3-ethenyldodec-1-ene
SMILESC=CC(C=C)(CCCCCCCCC)OCCCCCCCCCC
InChIInChI=1S/C24H46O/c1-5-9-11-13-15-17-19-21-23-25-24(7-3,8-4)22-20-18-16-14-12-10-6-2/h7-8H,3-6,9-23H2,1-2H3
InChIKeySSEBRNUIJUCLSX-UHFFFAOYSA-N
MW350.63 g/mol
LogP8.40
Rot. Bonds20

About 3-decoxy-3-ethenyldodec-1-ene

3-decoxy-3-ethenyldodec-1-ene (PubChem CID 151898066) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 3-decoxy-3-ethenyldodec-1-ene.

Molecular Properties

Compound Name3-decoxy-3-ethenyldodec-1-ene
PubChem CID151898066
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name3-decoxy-3-ethenyldodec-1-ene
SMILESC=CC(C=C)(CCCCCCCCC)OCCCCCCCCCC
InChIInChI=1S/C24H46O/c1-5-9-11-13-15-17-19-21-23-25-24(7-3,8-4)22-20-18-16-14-12-10-6-2/h7-8H,3-6,9-23H2,1-2H3
InChIKeySSEBRNUIJUCLSX-UHFFFAOYSA-N
XLogP8.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-decoxy-3-ethenyldodec-1-ene?
The IUPAC name of 3-decoxy-3-ethenyldodec-1-ene (CID 151898066) is 3-decoxy-3-ethenyldodec-1-ene.
What is the SMILES notation for 3-decoxy-3-ethenyldodec-1-ene?
The canonical SMILES for 3-decoxy-3-ethenyldodec-1-ene is C=CC(C=C)(CCCCCCCCC)OCCCCCCCCCC.
What is the InChIKey of 3-decoxy-3-ethenyldodec-1-ene?
The InChIKey is SSEBRNUIJUCLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-5-9-11-13-15-17-19-21-23-25-24(7-3,8-4)22-20-18-16-14-12-10-6-2/h7-8H,3-6,9-23H2,1-2H3.
What are the key properties of 3-decoxy-3-ethenyldodec-1-ene?
3-decoxy-3-ethenyldodec-1-ene has a molecular weight of 350.63 g/mol, XLogP of 8.40, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxy-3-ethenyldodec-1-ene is sourced from PubChem (CID 151898066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).