6-bromohept-6-en-1-ol

C7H13BrO — CID 122546452

IUPAC6-bromohept-6-en-1-ol
SMILESC=C(Br)CCCCCO
InChIInChI=1S/C7H13BrO/c1-7(8)5-3-2-4-6-9/h9H,1-6H2
InChIKeyLKWIJBSYOAVQMO-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.45
Rot. Bonds5

About 6-bromohept-6-en-1-ol

6-bromohept-6-en-1-ol (PubChem CID 122546452) has the molecular formula C7H13BrO and a molecular weight of 193.08 g/mol. Its IUPAC name is 6-bromohept-6-en-1-ol.

Molecular Properties

Compound Name6-bromohept-6-en-1-ol
PubChem CID122546452
Molecular FormulaC7H13BrO
Molecular Weight193.08 g/mol
Exact Mass192.01
IUPAC Name6-bromohept-6-en-1-ol
SMILESC=C(Br)CCCCCO
InChIInChI=1S/C7H13BrO/c1-7(8)5-3-2-4-6-9/h9H,1-6H2
InChIKeyLKWIJBSYOAVQMO-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromotetradec-1-ene
CID 2757183
CID 158555375
CID 158555375
methanediol;pentane-1,5-diol
CID 90027781
1,11-dihydroxyundecan-6-one
CID 14015246
tricosane-1,23-diol
CID 25144332
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
CID 157146691
CID 157146691
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508

Frequently Asked Questions

What is the IUPAC name of 6-bromohept-6-en-1-ol?
The IUPAC name of 6-bromohept-6-en-1-ol (CID 122546452) is 6-bromohept-6-en-1-ol.
What is the SMILES notation for 6-bromohept-6-en-1-ol?
The canonical SMILES for 6-bromohept-6-en-1-ol is C=C(Br)CCCCCO.
What is the InChIKey of 6-bromohept-6-en-1-ol?
The InChIKey is LKWIJBSYOAVQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrO/c1-7(8)5-3-2-4-6-9/h9H,1-6H2.
What are the key properties of 6-bromohept-6-en-1-ol?
6-bromohept-6-en-1-ol has a molecular weight of 193.08 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromohept-6-en-1-ol is sourced from PubChem (CID 122546452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).