(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol

C14H26O3 — CID 25147334

IUPAC(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol
SMILESC/C=C/[C@H](O)CCCC(C)OC1CCCCO1
InChIInChI=1S/C14H26O3/c1-3-7-13(15)9-6-8-12(2)17-14-10-4-5-11-16-14/h3,7,12-15H,4-6,8-11H2,1-2H3/b7-3+/t12?,13-,14?/m0/s1
InChIKeyOXKXUWHMKAYRFW-HFRUYWQWSA-N
MW242.36 g/mol
LogP3.03
Rot. Bonds7

About (E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol

(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol (PubChem CID 25147334) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol.

Molecular Properties

Compound Name(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol
PubChem CID25147334
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol
SMILESC/C=C/[C@H](O)CCCC(C)OC1CCCCO1
InChIInChI=1S/C14H26O3/c1-3-7-13(15)9-6-8-12(2)17-14-10-4-5-11-16-14/h3,7,12-15H,4-6,8-11H2,1-2H3/b7-3+/t12?,13-,14?/m0/s1
InChIKeyOXKXUWHMKAYRFW-HFRUYWQWSA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane
CID 102392953
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
methyl (4S)-4-[(2S)-oxan-2-yl]oxypentanoate
CID 11746035
9-(oxan-2-yloxy)dec-2-yn-1-ol
CID 86095981
(E)-7-(oxan-2-yloxy)-4-oxooct-2-enoic acid
CID 10634810
(10R)-1,10-bis(oxan-2-yloxy)undecan-6-one
CID 71407763
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
2-butan-2-yloxyoxane
CID 559028

Frequently Asked Questions

What is the IUPAC name of (E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol?
The IUPAC name of (E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol (CID 25147334) is (E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol.
What is the SMILES notation for (E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol?
The canonical SMILES for (E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol is C/C=C/[C@H](O)CCCC(C)OC1CCCCO1.
What is the InChIKey of (E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol?
The InChIKey is OXKXUWHMKAYRFW-HFRUYWQWSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-7-13(15)9-6-8-12(2)17-14-10-4-5-11-16-14/h3,7,12-15H,4-6,8-11H2,1-2H3/b7-3+/t12?,13-,14?/m0/s1.
What are the key properties of (E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol?
(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol has a molecular weight of 242.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol is sourced from PubChem (CID 25147334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).