1-(1-propoxypropoxy)hexane

C12H26O2 — CID 89482622

IUPAC1-(1-propoxypropoxy)hexane
SMILESCCCCCCOC(CC)OCCC
InChIInChI=1S/C12H26O2/c1-4-7-8-9-11-14-12(6-3)13-10-5-2/h12H,4-11H2,1-3H3
InChIKeyWLQIJDBHXKTDQF-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.75
Rot. Bonds10

About 1-(1-propoxypropoxy)hexane

1-(1-propoxypropoxy)hexane (PubChem CID 89482622) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(1-propoxypropoxy)hexane.

Molecular Properties

Compound Name1-(1-propoxypropoxy)hexane
PubChem CID89482622
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-(1-propoxypropoxy)hexane
SMILESCCCCCCOC(CC)OCCC
InChIInChI=1S/C12H26O2/c1-4-7-8-9-11-14-12(6-3)13-10-5-2/h12H,4-11H2,1-3H3
InChIKeyWLQIJDBHXKTDQF-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(15,15-dioctoxy-1-propoxypentadecoxy)-15,15-dioctoxy-1-propoxypentadecane
CID 175225222
diethyl(1-octoxypropoxy)alumane
CID 139905167
1-(1-hexadecoxypropoxy)propan-1-ol
CID 21317072
1-pentan-3-yloxydecane
CID 173279604
1,1-dibutoxyoctane
CID 54557001
bis(2-methylpropyl)-(1-octoxypropoxy)alumane
CID 139905020
1-(4-methyl-1-nonoxypentoxy)nonane
CID 168756191
1-methoxy-1-propoxypropane
CID 19963975
1-(difluoromethoxy)decane
CID 14400535
1-hexadecoxypropoxy dimethoxy phosphite
CID 23443243
1-undecoxypropan-1-ol
CID 139971923
1-hexoxypropylsilane
CID 174351834

Frequently Asked Questions

What is the IUPAC name of 1-(1-propoxypropoxy)hexane?
The IUPAC name of 1-(1-propoxypropoxy)hexane (CID 89482622) is 1-(1-propoxypropoxy)hexane.
What is the SMILES notation for 1-(1-propoxypropoxy)hexane?
The canonical SMILES for 1-(1-propoxypropoxy)hexane is CCCCCCOC(CC)OCCC.
What is the InChIKey of 1-(1-propoxypropoxy)hexane?
The InChIKey is WLQIJDBHXKTDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-4-7-8-9-11-14-12(6-3)13-10-5-2/h12H,4-11H2,1-3H3.
What are the key properties of 1-(1-propoxypropoxy)hexane?
1-(1-propoxypropoxy)hexane has a molecular weight of 202.34 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propoxypropoxy)hexane is sourced from PubChem (CID 89482622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).