1-bromo-4-methyl-3-propan-2-ylpent-1-ene

C9H17Br — CID 174603571

IUPAC1-bromo-4-methyl-3-propan-2-ylpent-1-ene
SMILESCC(C)C(C=CBr)C(C)C
InChIInChI=1S/C9H17Br/c1-7(2)9(5-6-10)8(3)4/h5-9H,1-4H3
InChIKeySBYUROYSNGRKFG-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.82
Rot. Bonds3

About 1-bromo-4-methyl-3-propan-2-ylpent-1-ene

1-bromo-4-methyl-3-propan-2-ylpent-1-ene (PubChem CID 174603571) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-bromo-4-methyl-3-propan-2-ylpent-1-ene.

Molecular Properties

Compound Name1-bromo-4-methyl-3-propan-2-ylpent-1-ene
PubChem CID174603571
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name1-bromo-4-methyl-3-propan-2-ylpent-1-ene
SMILESCC(C)C(C=CBr)C(C)C
InChIInChI=1S/C9H17Br/c1-7(2)9(5-6-10)8(3)4/h5-9H,1-4H3
InChIKeySBYUROYSNGRKFG-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(Z)-1-bromo-3-methylbut-1-ene
CID 14148825
(E)-1-bromo-3-methylsulfonylbut-1-ene
CID 89234977
(E,6R)-2,3,6,7-tetramethyloct-4-ene
CID 58933362
1-bromo-3,7-dimethylocta-1,6-diene
CID 154265835
1,3-dibromo-3-(1,3-dibromoprop-2-enoxy)prop-1-ene
CID 173077751
2-bromo-1-iodopropane
CID 12596098
2-[(Z)-2-bromoethenoxy]propane
CID 131242126
1-bromo-4,4,4-trifluoro-3-(trifluoromethyl)but-1-ene
CID 76545618
2-iodo-3-methylbutane
CID 519544
1,1-dibromo-2-methylpropane
CID 11663
1,3,4,5,6,6-hexabromohex-1-ene
CID 173448771
(Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine
CID 101163776

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methyl-3-propan-2-ylpent-1-ene?
The IUPAC name of 1-bromo-4-methyl-3-propan-2-ylpent-1-ene (CID 174603571) is 1-bromo-4-methyl-3-propan-2-ylpent-1-ene.
What is the SMILES notation for 1-bromo-4-methyl-3-propan-2-ylpent-1-ene?
The canonical SMILES for 1-bromo-4-methyl-3-propan-2-ylpent-1-ene is CC(C)C(C=CBr)C(C)C.
What is the InChIKey of 1-bromo-4-methyl-3-propan-2-ylpent-1-ene?
The InChIKey is SBYUROYSNGRKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-7(2)9(5-6-10)8(3)4/h5-9H,1-4H3.
What are the key properties of 1-bromo-4-methyl-3-propan-2-ylpent-1-ene?
1-bromo-4-methyl-3-propan-2-ylpent-1-ene has a molecular weight of 205.14 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methyl-3-propan-2-ylpent-1-ene is sourced from PubChem (CID 174603571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).