1,6-di(propan-2-yloxy)hexane

C12H26O2 — CID 10899702

IUPAC1,6-di(propan-2-yloxy)hexane
SMILESCC(C)OCCCCCCOC(C)C
InChIInChI=1S/C12H26O2/c1-11(2)13-9-7-5-6-8-10-14-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyLZJWBHPZNYMYKL-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.40
Rot. Bonds9

About 1,6-di(propan-2-yloxy)hexane

1,6-di(propan-2-yloxy)hexane (PubChem CID 10899702) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,6-di(propan-2-yloxy)hexane.

Molecular Properties

Compound Name1,6-di(propan-2-yloxy)hexane
PubChem CID10899702
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1,6-di(propan-2-yloxy)hexane
SMILESCC(C)OCCCCCCOC(C)C
InChIInChI=1S/C12H26O2/c1-11(2)13-9-7-5-6-8-10-14-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyLZJWBHPZNYMYKL-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
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CID 167327232
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
2,8-dimethylnonane;1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157236499
4-(4-propan-2-yloxybutoxy)butan-1-ol
CID 19930592
3-propan-2-yloxypropan-1-amine;hydrochloride
CID 18670799
methyl(9-propan-2-yloxynonoxy)phosphinate
CID 140649325
azane;1-propan-2-yloxydodecane;sulfuric acid
CID 175080413
N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
4-propan-2-yloxybutane-1,1-diol
CID 87074397

Frequently Asked Questions

What is the IUPAC name of 1,6-di(propan-2-yloxy)hexane?
The IUPAC name of 1,6-di(propan-2-yloxy)hexane (CID 10899702) is 1,6-di(propan-2-yloxy)hexane.
What is the SMILES notation for 1,6-di(propan-2-yloxy)hexane?
The canonical SMILES for 1,6-di(propan-2-yloxy)hexane is CC(C)OCCCCCCOC(C)C.
What is the InChIKey of 1,6-di(propan-2-yloxy)hexane?
The InChIKey is LZJWBHPZNYMYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-11(2)13-9-7-5-6-8-10-14-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1,6-di(propan-2-yloxy)hexane?
1,6-di(propan-2-yloxy)hexane has a molecular weight of 202.34 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-di(propan-2-yloxy)hexane is sourced from PubChem (CID 10899702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).