(E)-17-bromoheptadec-3-en-1-ol

C17H33BrO — CID 163204836

IUPAC(E)-17-bromoheptadec-3-en-1-ol
SMILESOCC/C=C/CCCCCCCCCCCCCBr
InChIInChI=1S/C17H33BrO/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h11,13,19H,1-10,12,14-17H2/b13-11+
InChIKeySVAHEGICFYIAEK-ACCUITESSA-N
MW333.35 g/mol
LogP6.00
Rot. Bonds15

About (E)-17-bromoheptadec-3-en-1-ol

(E)-17-bromoheptadec-3-en-1-ol (PubChem CID 163204836) has the molecular formula C17H33BrO and a molecular weight of 333.35 g/mol. Its IUPAC name is (E)-17-bromoheptadec-3-en-1-ol.

Molecular Properties

Compound Name(E)-17-bromoheptadec-3-en-1-ol
PubChem CID163204836
Molecular FormulaC17H33BrO
Molecular Weight333.35 g/mol
Exact Mass332.17
IUPAC Name(E)-17-bromoheptadec-3-en-1-ol
SMILESOCC/C=C/CCCCCCCCCCCCCBr
InChIInChI=1S/C17H33BrO/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h11,13,19H,1-10,12,14-17H2/b13-11+
InChIKeySVAHEGICFYIAEK-ACCUITESSA-N
XLogP6.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.35
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-12-bromododec-3-en-1-ol
CID 163205087
(Z)-21-bromohenicos-11-en-1-ol
CID 134982012
(E)-7-bromohept-3-en-1-ol
CID 163205000
1,25-dibromopentacos-12-ene
CID 168864699
7-bromohept-2-en-1-ol
CID 85361103
1,12-dibromododec-2-ene
CID 54440565
(3Z,6Z,9Z,12Z,15Z,18Z)-28-bromooctacosa-3,6,9,12,15,18-hexaene;(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaen-1-ol
CID 160855326
1,7-dibromohept-2-ene
CID 171472304
(Z)-13-chlorotridec-3-en-1-ol
CID 163204990
(E)-12-bromododec-3-ene
CID 20561604
(E)-heptadec-3-en-1-ol
CID 170849265
(E)-12-iodododec-3-en-1-ol
CID 163205046

Frequently Asked Questions

What is the IUPAC name of (E)-17-bromoheptadec-3-en-1-ol?
The IUPAC name of (E)-17-bromoheptadec-3-en-1-ol (CID 163204836) is (E)-17-bromoheptadec-3-en-1-ol.
What is the SMILES notation for (E)-17-bromoheptadec-3-en-1-ol?
The canonical SMILES for (E)-17-bromoheptadec-3-en-1-ol is OCC/C=C/CCCCCCCCCCCCCBr.
What is the InChIKey of (E)-17-bromoheptadec-3-en-1-ol?
The InChIKey is SVAHEGICFYIAEK-ACCUITESSA-N. The full InChI is InChI=1S/C17H33BrO/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h11,13,19H,1-10,12,14-17H2/b13-11+.
What are the key properties of (E)-17-bromoheptadec-3-en-1-ol?
(E)-17-bromoheptadec-3-en-1-ol has a molecular weight of 333.35 g/mol, XLogP of 6.00, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-17-bromoheptadec-3-en-1-ol is sourced from PubChem (CID 163204836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).