(4R)-1-bromo-4-methylheptane

C8H17Br — CID 101151528

IUPAC(4R)-1-bromo-4-methylheptane
SMILESCCC[C@@H](C)CCCBr
InChIInChI=1S/C8H17Br/c1-3-5-8(2)6-4-7-9/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyMRLAKDCGXYAZCI-MRVPVSSYSA-N
MW193.13 g/mol
LogP3.60
Rot. Bonds5

About (4R)-1-bromo-4-methylheptane

(4R)-1-bromo-4-methylheptane (PubChem CID 101151528) has the molecular formula C8H17Br and a molecular weight of 193.13 g/mol. Its IUPAC name is (4R)-1-bromo-4-methylheptane.

Molecular Properties

Compound Name(4R)-1-bromo-4-methylheptane
PubChem CID101151528
Molecular FormulaC8H17Br
Molecular Weight193.13 g/mol
Exact Mass192.05
IUPAC Name(4R)-1-bromo-4-methylheptane
SMILESCCC[C@@H](C)CCCBr
InChIInChI=1S/C8H17Br/c1-3-5-8(2)6-4-7-9/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyMRLAKDCGXYAZCI-MRVPVSSYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-methyldecane
CID 14069922
1-bromo-10-methyltetradecane
CID 170440357
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
(2R)-1,5-dibromo-2-methylpentane
CID 10243526
4-methylheptane;pentane
CID 142501546
4-methylheptane;propane
CID 142171269
4-methyltritriacontane
CID 71346224
4,13-dimethylheptadecane
CID 6430494
(4S)-4-methyltridecane
CID 24884428
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866

Frequently Asked Questions

What is the IUPAC name of (4R)-1-bromo-4-methylheptane?
The IUPAC name of (4R)-1-bromo-4-methylheptane (CID 101151528) is (4R)-1-bromo-4-methylheptane.
What is the SMILES notation for (4R)-1-bromo-4-methylheptane?
The canonical SMILES for (4R)-1-bromo-4-methylheptane is CCC[C@@H](C)CCCBr.
What is the InChIKey of (4R)-1-bromo-4-methylheptane?
The InChIKey is MRLAKDCGXYAZCI-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17Br/c1-3-5-8(2)6-4-7-9/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-1-bromo-4-methylheptane?
(4R)-1-bromo-4-methylheptane has a molecular weight of 193.13 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-bromo-4-methylheptane is sourced from PubChem (CID 101151528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).