1-(dioxiran-3-yl)heptan-1-ol

C8H16O3 — CID 141086578

IUPAC1-(dioxiran-3-yl)heptan-1-ol
SMILESCCCCCCC(O)C1OO1
InChIInChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8-10-11-8/h7-9H,2-6H2,1H3
InChIKeyNDATZKSORLJAHP-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.61
Rot. Bonds6

About 1-(dioxiran-3-yl)heptan-1-ol

1-(dioxiran-3-yl)heptan-1-ol (PubChem CID 141086578) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-(dioxiran-3-yl)heptan-1-ol.

Molecular Properties

Compound Name1-(dioxiran-3-yl)heptan-1-ol
PubChem CID141086578
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-(dioxiran-3-yl)heptan-1-ol
SMILESCCCCCCC(O)C1OO1
InChIInChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8-10-11-8/h7-9H,2-6H2,1H3
InChIKeyNDATZKSORLJAHP-UHFFFAOYSA-N
XLogP1.61
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
1-[(2S,3S)-3-methyloxiran-2-yl]heptan-1-ol
CID 101093236
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-(3-hexyloxiran-2-yl)hexan-1-ol
CID 123301383
1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol
CID 115783440
nonacosane-7,20-diol
CID 174949468
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
(7R)-hexatriacontan-7-ol
CID 88529159

Frequently Asked Questions

What is the IUPAC name of 1-(dioxiran-3-yl)heptan-1-ol?
The IUPAC name of 1-(dioxiran-3-yl)heptan-1-ol (CID 141086578) is 1-(dioxiran-3-yl)heptan-1-ol.
What is the SMILES notation for 1-(dioxiran-3-yl)heptan-1-ol?
The canonical SMILES for 1-(dioxiran-3-yl)heptan-1-ol is CCCCCCC(O)C1OO1.
What is the InChIKey of 1-(dioxiran-3-yl)heptan-1-ol?
The InChIKey is NDATZKSORLJAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8-10-11-8/h7-9H,2-6H2,1H3.
What are the key properties of 1-(dioxiran-3-yl)heptan-1-ol?
1-(dioxiran-3-yl)heptan-1-ol has a molecular weight of 160.21 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dioxiran-3-yl)heptan-1-ol is sourced from PubChem (CID 141086578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).