2-(6-bromo-7-methyloctyl)oxolane

C13H25BrO — CID 65165254

IUPAC2-(6-bromo-7-methyloctyl)oxolane
SMILESCC(C)C(Br)CCCCCC1CCCO1
InChIInChI=1S/C13H25BrO/c1-11(2)13(14)9-5-3-4-7-12-8-6-10-15-12/h11-13H,3-10H2,1-2H3
InChIKeyKHJORZHXBMFGFZ-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.54
Rot. Bonds7

About 2-(6-bromo-7-methyloctyl)oxolane

2-(6-bromo-7-methyloctyl)oxolane (PubChem CID 65165254) has the molecular formula C13H25BrO and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-(6-bromo-7-methyloctyl)oxolane.

Molecular Properties

Compound Name2-(6-bromo-7-methyloctyl)oxolane
PubChem CID65165254
Molecular FormulaC13H25BrO
Molecular Weight277.25 g/mol
Exact Mass276.11
IUPAC Name2-(6-bromo-7-methyloctyl)oxolane
SMILESCC(C)C(Br)CCCCCC1CCCO1
InChIInChI=1S/C13H25BrO/c1-11(2)13(14)9-5-3-4-7-12-8-6-10-15-12/h11-13H,3-10H2,1-2H3
InChIKeyKHJORZHXBMFGFZ-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(6-bromo-7-methyloctyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromoheptyl)oxolane
CID 65166211
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
CID 65166491
2-tetradecyloxolane
CID 10683364
2-[4-[5-(oxolan-2-yl)pentan-2-ylsulfanyl]pentyl]oxolane
CID 54448834
2-(5-methylhexyl)oxetane
CID 173452744
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
2-(5-chloro-4-methylpentyl)oxolane
CID 65165310
2-[4-(bromomethyl)-5,5-dimethylhexyl]oxolane
CID 83141397
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
2-[11-[12-(oxetan-2-yl)dodecan-2-yloxy]dodecyl]oxetane
CID 66633104
2-(3-bromopropyl)oxolane
CID 15783712

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-7-methyloctyl)oxolane?
The IUPAC name of 2-(6-bromo-7-methyloctyl)oxolane (CID 65165254) is 2-(6-bromo-7-methyloctyl)oxolane.
What is the SMILES notation for 2-(6-bromo-7-methyloctyl)oxolane?
The canonical SMILES for 2-(6-bromo-7-methyloctyl)oxolane is CC(C)C(Br)CCCCCC1CCCO1.
What is the InChIKey of 2-(6-bromo-7-methyloctyl)oxolane?
The InChIKey is KHJORZHXBMFGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrO/c1-11(2)13(14)9-5-3-4-7-12-8-6-10-15-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(6-bromo-7-methyloctyl)oxolane?
2-(6-bromo-7-methyloctyl)oxolane has a molecular weight of 277.25 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-7-methyloctyl)oxolane is sourced from PubChem (CID 65165254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).