(E)-7-bromohept-3-en-1-ol

C7H13BrO — CID 163205000

IUPAC(E)-7-bromohept-3-en-1-ol
SMILESOCC/C=C/CCCBr
InChIInChI=1S/C7H13BrO/c8-6-4-2-1-3-5-7-9/h1,3,9H,2,4-7H2/b3-1+
InChIKeyUXPHRZQVTVEINT-HNQUOIGGSA-N
MW193.08 g/mol
LogP2.10
Rot. Bonds5

About (E)-7-bromohept-3-en-1-ol

(E)-7-bromohept-3-en-1-ol (PubChem CID 163205000) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is (E)-7-bromohept-3-en-1-ol.

Molecular Properties

Compound Name(E)-7-bromohept-3-en-1-ol
PubChem CID163205000
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name(E)-7-bromohept-3-en-1-ol
SMILESOCC/C=C/CCCBr
InChIInChI=1S/C7H13BrO/c8-6-4-2-1-3-5-7-9/h1,3,9H,2,4-7H2/b3-1+
InChIKeyUXPHRZQVTVEINT-HNQUOIGGSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.10
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
(E)-17-bromoheptadec-3-en-1-ol
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(Z)-21-bromohenicos-11-en-1-ol
CID 134982012
7-bromohept-2-en-1-ol
CID 85361103
1,25-dibromopentacos-12-ene
CID 168864699
(E)-7-bromo-1-fluorohept-3-ene
CID 155605858
hex-2-ene-1,6-diol;hex-3-ene-1,6-diol
CID 173026938
6-bromo-1-chlorohex-2-ene
CID 171472345
heptadec-3-en-1-ol
CID 86130004
(Z)-16-chlorohexadec-3-en-1-ol
CID 163204745
(E)-12-iodododec-3-en-1-ol
CID 163205046
(Z)-14-fluorotetradec-3-en-1-ol
CID 86739508

Frequently Asked Questions

What is the IUPAC name of (E)-7-bromohept-3-en-1-ol?
The IUPAC name of (E)-7-bromohept-3-en-1-ol (CID 163205000) is (E)-7-bromohept-3-en-1-ol.
What is the SMILES notation for (E)-7-bromohept-3-en-1-ol?
The canonical SMILES for (E)-7-bromohept-3-en-1-ol is OCC/C=C/CCCBr.
What is the InChIKey of (E)-7-bromohept-3-en-1-ol?
The InChIKey is UXPHRZQVTVEINT-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H13BrO/c8-6-4-2-1-3-5-7-9/h1,3,9H,2,4-7H2/b3-1+.
What are the key properties of (E)-7-bromohept-3-en-1-ol?
(E)-7-bromohept-3-en-1-ol has a molecular weight of 193.08 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-bromohept-3-en-1-ol is sourced from PubChem (CID 163205000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).