3-(dibromomethyl)heptane

C8H16Br2 — CID 87164380

IUPAC3-(dibromomethyl)heptane
SMILESCCCCC(CC)C(Br)Br
InChIInChI=1S/C8H16Br2/c1-3-5-6-7(4-2)8(9)10/h7-8H,3-6H2,1-2H3
InChIKeyQESAIJWUSZXATE-UHFFFAOYSA-N
MW272.02 g/mol
LogP4.32
Rot. Bonds5

About 3-(dibromomethyl)heptane

3-(dibromomethyl)heptane (PubChem CID 87164380) has the molecular formula C8H16Br2 and a molecular weight of 272.02 g/mol. Its IUPAC name is 3-(dibromomethyl)heptane.

Molecular Properties

Compound Name3-(dibromomethyl)heptane
PubChem CID87164380
Molecular FormulaC8H16Br2
Molecular Weight272.02 g/mol
Exact Mass269.96
IUPAC Name3-(dibromomethyl)heptane
SMILESCCCCC(CC)C(Br)Br
InChIInChI=1S/C8H16Br2/c1-3-5-6-7(4-2)8(9)10/h7-8H,3-6H2,1-2H3
InChIKeyQESAIJWUSZXATE-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.02
LogP ≤ 54.32
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

4,5-diethylnonane
CID 21188862
5,6-diethyldodecane
CID 90761715
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
5-butyl-6-ethyldodecane
CID 529932
5,7-diethylundecan-6-ol
CID 89253066
1-(1-bromo-2-ethylhexyl)-2,3,4,5,6-pentamethylbenzene
CID 63437954
9,10-diethyloctadecane
CID 530164
3-ethylheptan-2-amine
CID 61000696
[2-ethyl-1-(2-ethyl-1-trimethylsilylhexoxy)hexyl]-trimethylsilane
CID 139918654
6-ethyl-7-pentyltetradecane
CID 123140274
19-heptadecan-3-ylnonatriacontane
CID 57212477
5,9-diethyltridecane-6,8-diamine
CID 57146972

Frequently Asked Questions

What is the IUPAC name of 3-(dibromomethyl)heptane?
The IUPAC name of 3-(dibromomethyl)heptane (CID 87164380) is 3-(dibromomethyl)heptane.
What is the SMILES notation for 3-(dibromomethyl)heptane?
The canonical SMILES for 3-(dibromomethyl)heptane is CCCCC(CC)C(Br)Br.
What is the InChIKey of 3-(dibromomethyl)heptane?
The InChIKey is QESAIJWUSZXATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Br2/c1-3-5-6-7(4-2)8(9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(dibromomethyl)heptane?
3-(dibromomethyl)heptane has a molecular weight of 272.02 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibromomethyl)heptane is sourced from PubChem (CID 87164380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).