17-but-3-en-2-yloxytetratriacontane

C38H76O — CID 123670931

IUPAC17-but-3-en-2-yloxytetratriacontane
SMILESC=CC(C)OC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H76O/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(39-37(4)7-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h7,37-38H,3,5-6,8-36H2,1-2,4H3
InChIKeyQXBOFRVBDOIRBH-UHFFFAOYSA-N
MW549.03 g/mol
LogP14.08
Rot. Bonds34

About 17-but-3-en-2-yloxytetratriacontane

17-but-3-en-2-yloxytetratriacontane (PubChem CID 123670931) has the molecular formula C38H76O and a molecular weight of 549.03 g/mol. Its IUPAC name is 17-but-3-en-2-yloxytetratriacontane.

Molecular Properties

Compound Name17-but-3-en-2-yloxytetratriacontane
PubChem CID123670931
Molecular FormulaC38H76O
Molecular Weight549.03 g/mol
Exact Mass548.59
IUPAC Name17-but-3-en-2-yloxytetratriacontane
SMILESC=CC(C)OC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H76O/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(39-37(4)7-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h7,37-38H,3,5-6,8-36H2,1-2,4H3
InChIKeyQXBOFRVBDOIRBH-UHFFFAOYSA-N
XLogP14.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.03
LogP ≤ 514.08
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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Related Compounds

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CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
4-icosan-4-yloxyicosane
CID 87313284
1-octadecan-9-yloxyethanol
CID 167496272
4-hexadecan-5-yloxyhexadecane
CID 57069400
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
3-oct-1-en-3-yloxyoct-1-ene
CID 21413587
1-nonacosan-15-yloxybutylazanium bromide
CID 140999934
4-methoxynon-1-ene
CID 13284925
3-methyl-4-(3-methylnon-1-en-4-yloxy)non-1-ene
CID 22465178
10-ethenylnonadecane
CID 57244946

Frequently Asked Questions

What is the IUPAC name of 17-but-3-en-2-yloxytetratriacontane?
The IUPAC name of 17-but-3-en-2-yloxytetratriacontane (CID 123670931) is 17-but-3-en-2-yloxytetratriacontane.
What is the SMILES notation for 17-but-3-en-2-yloxytetratriacontane?
The canonical SMILES for 17-but-3-en-2-yloxytetratriacontane is C=CC(C)OC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC.
What is the InChIKey of 17-but-3-en-2-yloxytetratriacontane?
The InChIKey is QXBOFRVBDOIRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H76O/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(39-37(4)7-3)35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h7,37-38H,3,5-6,8-36H2,1-2,4H3.
What are the key properties of 17-but-3-en-2-yloxytetratriacontane?
17-but-3-en-2-yloxytetratriacontane has a molecular weight of 549.03 g/mol, XLogP of 14.08, 34 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-but-3-en-2-yloxytetratriacontane is sourced from PubChem (CID 123670931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).