(4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene

C11H19BrO — CID 139718586

IUPAC(4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene
SMILESC=CC[C@@H](CC/C(C)=C/CBr)OC
InChIInChI=1S/C11H19BrO/c1-4-5-11(13-3)7-6-10(2)8-9-12/h4,8,11H,1,5-7,9H2,2-3H3/b10-8+/t11-/m0/s1
InChIKeyBASDPULVBQKEIJ-UQSGXBNBSA-N
MW247.18 g/mol
LogP3.70
Rot. Bonds7

About (4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene

(4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene (PubChem CID 139718586) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is (4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene.

Molecular Properties

Compound Name(4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene
PubChem CID139718586
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name(4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene
SMILESC=CC[C@@H](CC/C(C)=C/CBr)OC
InChIInChI=1S/C11H19BrO/c1-4-5-11(13-3)7-6-10(2)8-9-12/h4,8,11H,1,5-7,9H2,2-3H3/b10-8+/t11-/m0/s1
InChIKeyBASDPULVBQKEIJ-UQSGXBNBSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.70
H-Bond Donors ≤ 50
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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Related Compounds

(E)-1-bromo-6-methoxy-3,7-dimethyloct-2-ene
CID 21485156
(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol
CID 10922612
(5E,7E,11R)-11-methoxy-8-methyltetradeca-5,7,13-trienal
CID 102001360
2-methoxypent-4-en-1-ol
CID 90985403
(2S,6R)-6-methoxynon-8-en-2-ol
CID 46186048
4-methoxynon-1-ene
CID 13284925
4,5-dimethoxypent-1-ene
CID 73040162
(E)-5-methoxy-2,8-dimethylnon-2-en-1-ol
CID 87272421
[(2S,6S,9Z)-2-methoxy-9-methyltrideca-9,12-dien-6-yl] acetate
CID 134863295
(4R)-2-tert-butyl-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-4,5-dihydro-1,3-oxazole
CID 10109134
tert-butyl-[(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trienoxy]-diphenylsilane
CID 10504788
(E)-1-bromo-3,6-dimethylhept-2-ene;triphenylphosphane
CID 87714786

Frequently Asked Questions

What is the IUPAC name of (4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene?
The IUPAC name of (4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene (CID 139718586) is (4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene.
What is the SMILES notation for (4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene?
The canonical SMILES for (4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene is C=CC[C@@H](CC/C(C)=C/CBr)OC.
What is the InChIKey of (4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene?
The InChIKey is BASDPULVBQKEIJ-UQSGXBNBSA-N. The full InChI is InChI=1S/C11H19BrO/c1-4-5-11(13-3)7-6-10(2)8-9-12/h4,8,11H,1,5-7,9H2,2-3H3/b10-8+/t11-/m0/s1.
What are the key properties of (4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene?
(4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene has a molecular weight of 247.18 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7E)-9-bromo-4-methoxy-7-methylnona-1,7-diene is sourced from PubChem (CID 139718586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).