1-(5-bromopent-1-en-2-yloxy)pentadecane

C20H39BrO — CID 88529560

IUPAC1-(5-bromopent-1-en-2-yloxy)pentadecane
SMILESC=C(CCCBr)OCCCCCCCCCCCCCCC
InChIInChI=1S/C20H39BrO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-20(2)17-16-18-21/h2-19H2,1H3
InChIKeyADQNFTDFMOZWDM-UHFFFAOYSA-N
MW375.44 g/mol
LogP7.78
Rot. Bonds18

About 1-(5-bromopent-1-en-2-yloxy)pentadecane

1-(5-bromopent-1-en-2-yloxy)pentadecane (PubChem CID 88529560) has the molecular formula C20H39BrO and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-(5-bromopent-1-en-2-yloxy)pentadecane.

Molecular Properties

Compound Name1-(5-bromopent-1-en-2-yloxy)pentadecane
PubChem CID88529560
Molecular FormulaC20H39BrO
Molecular Weight375.44 g/mol
Exact Mass374.22
IUPAC Name1-(5-bromopent-1-en-2-yloxy)pentadecane
SMILESC=C(CCCBr)OCCCCCCCCCCCCCCC
InChIInChI=1S/C20H39BrO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-20(2)17-16-18-21/h2-19H2,1H3
InChIKeyADQNFTDFMOZWDM-UHFFFAOYSA-N
XLogP7.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 57.78
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'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-oct-1-en-2-yloxydodecane
CID 58247133
1-but-1-en-2-yloxyhexane
CID 57257919
2-icos-1-en-2-yloxyethanol
CID 141375140
5-icosoxyhex-5-en-2-one
CID 143854633
nonyl 7-bromoheptanoate
CID 167312747
4-O-(7-bromoheptyl) 1-O-pentyl butanedioate
CID 91701512
7-bromoheptyl dodecanoate
CID 167312758
9-bromononyl octanoate
CID 170743021
ethane;3-[heptyl(6-undec-1-en-2-yloxyhexyl)amino]propan-1-ol;propane
CID 170615596
6-bromohexyl undecyl carbonate
CID 163210907
tridecyl 3-bromopropanoate
CID 164886492
4-undec-1-en-2-yloxybutanal
CID 144696113

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopent-1-en-2-yloxy)pentadecane?
The IUPAC name of 1-(5-bromopent-1-en-2-yloxy)pentadecane (CID 88529560) is 1-(5-bromopent-1-en-2-yloxy)pentadecane.
What is the SMILES notation for 1-(5-bromopent-1-en-2-yloxy)pentadecane?
The canonical SMILES for 1-(5-bromopent-1-en-2-yloxy)pentadecane is C=C(CCCBr)OCCCCCCCCCCCCCCC.
What is the InChIKey of 1-(5-bromopent-1-en-2-yloxy)pentadecane?
The InChIKey is ADQNFTDFMOZWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39BrO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-20(2)17-16-18-21/h2-19H2,1H3.
What are the key properties of 1-(5-bromopent-1-en-2-yloxy)pentadecane?
1-(5-bromopent-1-en-2-yloxy)pentadecane has a molecular weight of 375.44 g/mol, XLogP of 7.78, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopent-1-en-2-yloxy)pentadecane is sourced from PubChem (CID 88529560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).