(4R)-6-bromohept-6-ene-1,4-diol

C7H13BrO2 — CID 88566902

IUPAC(4R)-6-bromohept-6-ene-1,4-diol
SMILESC=C(Br)C[C@H](O)CCCO
InChIInChI=1S/C7H13BrO2/c1-6(8)5-7(10)3-2-4-9/h7,9-10H,1-5H2/t7-/m1/s1
InChIKeyYKWCPKBKBKJTAZ-SSDOTTSWSA-N
MW209.08 g/mol
LogP1.42
Rot. Bonds5

About (4R)-6-bromohept-6-ene-1,4-diol

(4R)-6-bromohept-6-ene-1,4-diol (PubChem CID 88566902) has the molecular formula C7H13BrO2 and a molecular weight of 209.08 g/mol. Its IUPAC name is (4R)-6-bromohept-6-ene-1,4-diol.

Molecular Properties

Compound Name(4R)-6-bromohept-6-ene-1,4-diol
PubChem CID88566902
Molecular FormulaC7H13BrO2
Molecular Weight209.08 g/mol
Exact Mass208.01
IUPAC Name(4R)-6-bromohept-6-ene-1,4-diol
SMILESC=C(Br)C[C@H](O)CCCO
InChIInChI=1S/C7H13BrO2/c1-6(8)5-7(10)3-2-4-9/h7,9-10H,1-5H2/t7-/m1/s1
InChIKeyYKWCPKBKBKJTAZ-SSDOTTSWSA-N
XLogP1.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-dihydroxy-2-methylideneheptanoic acid;bis(2-methylprop-2-enoic acid)
CID 88718722
tridecane-1,4,13-triol
CID 90439734
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
(4R)-6-aminohexane-1,4-diol
CID 89292424
8-aminooctane-1,4-diol
CID 123424341
(4S)-6-methylheptane-1,4-diol
CID 88522325
(4S)-undecane-1,4-diol
CID 98092447
5-(methylamino)pentane-1,4-diol
CID 54247724
hept-6-yne-1,4-diol
CID 106677963
6-bromohept-6-en-1-ol
CID 122546452

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromohept-6-ene-1,4-diol?
The IUPAC name of (4R)-6-bromohept-6-ene-1,4-diol (CID 88566902) is (4R)-6-bromohept-6-ene-1,4-diol.
What is the SMILES notation for (4R)-6-bromohept-6-ene-1,4-diol?
The canonical SMILES for (4R)-6-bromohept-6-ene-1,4-diol is C=C(Br)C[C@H](O)CCCO.
What is the InChIKey of (4R)-6-bromohept-6-ene-1,4-diol?
The InChIKey is YKWCPKBKBKJTAZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13BrO2/c1-6(8)5-7(10)3-2-4-9/h7,9-10H,1-5H2/t7-/m1/s1.
What are the key properties of (4R)-6-bromohept-6-ene-1,4-diol?
(4R)-6-bromohept-6-ene-1,4-diol has a molecular weight of 209.08 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromohept-6-ene-1,4-diol is sourced from PubChem (CID 88566902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).