1-octan-4-yloxypropan-1-ol

C11H24O2 — CID 141313550

IUPAC1-octan-4-yloxypropan-1-ol
SMILESCCCCC(CCC)OC(O)CC
InChIInChI=1S/C11H24O2/c1-4-7-9-10(8-5-2)13-11(12)6-3/h10-12H,4-9H2,1-3H3
InChIKeyUFOIOFZVTDYHTK-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.09
Rot. Bonds8

About 1-octan-4-yloxypropan-1-ol

1-octan-4-yloxypropan-1-ol (PubChem CID 141313550) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-octan-4-yloxypropan-1-ol.

Molecular Properties

Compound Name1-octan-4-yloxypropan-1-ol
PubChem CID141313550
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-octan-4-yloxypropan-1-ol
SMILESCCCCC(CCC)OC(O)CC
InChIInChI=1S/C11H24O2/c1-4-7-9-10(8-5-2)13-11(12)6-3/h10-12H,4-9H2,1-3H3
InChIKeyUFOIOFZVTDYHTK-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 57069400
tridecan-4-yloxymethanediol
CID 160683891
acetic acid;4-octan-4-yloxyoctane
CID 175036803
4-icosan-4-yloxyicosane
CID 87313284
2-octan-4-yloxypropanoic acid
CID 151104523
1-(1-butoxybutoxy)propan-1-ol
CID 173130945
1-octadecan-9-yloxyethanol
CID 167496272
1-hydroxypropyl(octan-4-yloxy)phosphinic acid
CID 88818158
bis(1-octan-4-yloxyethyl) hexanedioate
CID 164884973
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
di(octan-4-yloxy)iodanium
CID 175807144

Frequently Asked Questions

What is the IUPAC name of 1-octan-4-yloxypropan-1-ol?
The IUPAC name of 1-octan-4-yloxypropan-1-ol (CID 141313550) is 1-octan-4-yloxypropan-1-ol.
What is the SMILES notation for 1-octan-4-yloxypropan-1-ol?
The canonical SMILES for 1-octan-4-yloxypropan-1-ol is CCCCC(CCC)OC(O)CC.
What is the InChIKey of 1-octan-4-yloxypropan-1-ol?
The InChIKey is UFOIOFZVTDYHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-7-9-10(8-5-2)13-11(12)6-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-octan-4-yloxypropan-1-ol?
1-octan-4-yloxypropan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-4-yloxypropan-1-ol is sourced from PubChem (CID 141313550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).