1-(1-propan-2-yloxypropan-2-yloxy)octane

C14H30O2 — CID 19076985

IUPAC1-(1-propan-2-yloxypropan-2-yloxy)octane
SMILESCCCCCCCCOC(C)COC(C)C
InChIInChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-15-14(4)12-16-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyFVUOAIDJJXCBKL-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.18
Rot. Bonds11

About 1-(1-propan-2-yloxypropan-2-yloxy)octane

1-(1-propan-2-yloxypropan-2-yloxy)octane (PubChem CID 19076985) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-(1-propan-2-yloxypropan-2-yloxy)octane.

Molecular Properties

Compound Name1-(1-propan-2-yloxypropan-2-yloxy)octane
PubChem CID19076985
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name1-(1-propan-2-yloxypropan-2-yloxy)octane
SMILESCCCCCCCCOC(C)COC(C)C
InChIInChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-15-14(4)12-16-13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyFVUOAIDJJXCBKL-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-yloxypropan-2-yloxy)octane?
The IUPAC name of 1-(1-propan-2-yloxypropan-2-yloxy)octane (CID 19076985) is 1-(1-propan-2-yloxypropan-2-yloxy)octane.
What is the SMILES notation for 1-(1-propan-2-yloxypropan-2-yloxy)octane?
The canonical SMILES for 1-(1-propan-2-yloxypropan-2-yloxy)octane is CCCCCCCCOC(C)COC(C)C.
What is the InChIKey of 1-(1-propan-2-yloxypropan-2-yloxy)octane?
The InChIKey is FVUOAIDJJXCBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-5-6-7-8-9-10-11-15-14(4)12-16-13(2)3/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-(1-propan-2-yloxypropan-2-yloxy)octane?
1-(1-propan-2-yloxypropan-2-yloxy)octane has a molecular weight of 230.39 g/mol, XLogP of 4.18, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-yloxypropan-2-yloxy)octane is sourced from PubChem (CID 19076985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).