1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol

C14H28O2 — CID 115783440

IUPAC1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol
SMILESCCCCCCC(O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H28O2/c1-5-6-7-8-9-13(15)14-10(2)11(3)16-12(14)4/h10-15H,5-9H2,1-4H3
InChIKeyUEDYJVLTFBLCDL-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds6

About 1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol

1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol (PubChem CID 115783440) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol.

Molecular Properties

Compound Name1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol
PubChem CID115783440
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol
SMILESCCCCCCC(O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H28O2/c1-5-6-7-8-9-13(15)14-10(2)11(3)16-12(14)4/h10-15H,5-9H2,1-4H3
InChIKeyUEDYJVLTFBLCDL-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S,3S)-3-methyloxiran-2-yl]heptan-1-ol
CID 101093236
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
CID 10419307
1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol
CID 115789193
1-(3-hexyloxiran-2-yl)hexan-1-ol
CID 123301383
(1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol
CID 69074201
1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
CID 114982474
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
2-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-ol
CID 115823360
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
1-(2-methyloxolan-3-yl)heptan-1-ol
CID 115783418

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol?
The IUPAC name of 1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol (CID 115783440) is 1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol.
What is the SMILES notation for 1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol?
The canonical SMILES for 1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol is CCCCCCC(O)C1C(C)OC(C)C1C.
What is the InChIKey of 1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol?
The InChIKey is UEDYJVLTFBLCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-6-7-8-9-13(15)14-10(2)11(3)16-12(14)4/h10-15H,5-9H2,1-4H3.
What are the key properties of 1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol?
1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol is sourced from PubChem (CID 115783440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).