(Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one

C10H17BrO2 — CID 101083243

IUPAC(Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one
SMILESCC(=O)CC/C=C(\Br)[C@H](C)[C@@H](C)O
InChIInChI=1S/C10H17BrO2/c1-7(12)5-4-6-10(11)8(2)9(3)13/h6,8-9,13H,4-5H2,1-3H3/b10-6-/t8-,9-/m1/s1
InChIKeyIYXFRPMSDIZSIY-MNTZLAJPSA-N
MW249.15 g/mol
LogP2.65
Rot. Bonds5

About (Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one

(Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one (PubChem CID 101083243) has the molecular formula C10H17BrO2 and a molecular weight of 249.15 g/mol. Its IUPAC name is (Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one.

Molecular Properties

Compound Name(Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one
PubChem CID101083243
Molecular FormulaC10H17BrO2
Molecular Weight249.15 g/mol
Exact Mass248.04
IUPAC Name(Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one
SMILESCC(=O)CC/C=C(\Br)[C@H](C)[C@@H](C)O
InChIInChI=1S/C10H17BrO2/c1-7(12)5-4-6-10(11)8(2)9(3)13/h6,8-9,13H,4-5H2,1-3H3/b10-6-/t8-,9-/m1/s1
InChIKeyIYXFRPMSDIZSIY-MNTZLAJPSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-6-bromo-7-hydroxyhept-5-en-2-one
CID 101333054
2-methyl-6-oxohept-2-enoic acid
CID 85419897
(5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
CID 91999240
methyl (Z)-2-methyl-6-oxohept-2-enoate
CID 11480688
(E)-6-methyl-8-propan-2-yloxyoct-5-en-2-one
CID 12910611
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide
CID 54407553
(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
CID 15069733
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
(E)-2-chloro-6-oxohept-2-enal
CID 90474693
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
3-methyl-7-oxooct-3-enal
CID 91303199

Frequently Asked Questions

What is the IUPAC name of (Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one?
The IUPAC name of (Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one (CID 101083243) is (Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one.
What is the SMILES notation for (Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one?
The canonical SMILES for (Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one is CC(=O)CC/C=C(\Br)[C@H](C)[C@@H](C)O.
What is the InChIKey of (Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one?
The InChIKey is IYXFRPMSDIZSIY-MNTZLAJPSA-N. The full InChI is InChI=1S/C10H17BrO2/c1-7(12)5-4-6-10(11)8(2)9(3)13/h6,8-9,13H,4-5H2,1-3H3/b10-6-/t8-,9-/m1/s1.
What are the key properties of (Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one?
(Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one has a molecular weight of 249.15 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7R,8R)-6-bromo-8-hydroxy-7-methylnon-5-en-2-one is sourced from PubChem (CID 101083243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).