(3R)-1-bromohept-6-en-3-ol

C7H13BrO — CID 10845442

IUPAC(3R)-1-bromohept-6-en-3-ol
SMILESC=CCC[C@@H](O)CCBr
InChIInChI=1S/C7H13BrO/c1-2-3-4-7(9)5-6-8/h2,7,9H,1,3-6H2/t7-/m1/s1
InChIKeyGEHVJOLPHMKLTA-SSDOTTSWSA-N
MW193.08 g/mol
LogP2.10
Rot. Bonds5

About (3R)-1-bromohept-6-en-3-ol

(3R)-1-bromohept-6-en-3-ol (PubChem CID 10845442) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is (3R)-1-bromohept-6-en-3-ol.

Molecular Properties

Compound Name(3R)-1-bromohept-6-en-3-ol
PubChem CID10845442
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name(3R)-1-bromohept-6-en-3-ol
SMILESC=CCC[C@@H](O)CCBr
InChIInChI=1S/C7H13BrO/c1-2-3-4-7(9)5-6-8/h2,7,9H,1,3-6H2/t7-/m1/s1
InChIKeyGEHVJOLPHMKLTA-SSDOTTSWSA-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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-bromohept-6-en-3-ol?
The IUPAC name of (3R)-1-bromohept-6-en-3-ol (CID 10845442) is (3R)-1-bromohept-6-en-3-ol.
What is the SMILES notation for (3R)-1-bromohept-6-en-3-ol?
The canonical SMILES for (3R)-1-bromohept-6-en-3-ol is C=CCC[C@@H](O)CCBr.
What is the InChIKey of (3R)-1-bromohept-6-en-3-ol?
The InChIKey is GEHVJOLPHMKLTA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13BrO/c1-2-3-4-7(9)5-6-8/h2,7,9H,1,3-6H2/t7-/m1/s1.
What are the key properties of (3R)-1-bromohept-6-en-3-ol?
(3R)-1-bromohept-6-en-3-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 (3R)-1-bromohept-6-en-3-ol is sourced from PubChem (CID 10845442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).