(2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol

C11H20O2 — CID 101412807

IUPAC(2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol
SMILESC=C[C@H]1CO[C@H](CCCC)C[C@H]1O
InChIInChI=1S/C11H20O2/c1-3-5-6-10-7-11(12)9(4-2)8-13-10/h4,9-12H,2-3,5-8H2,1H3/t9-,10+,11+/m0/s1
InChIKeyOAIHAGOKJMOJNU-HBNTYKKESA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds4

About (2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol

(2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol (PubChem CID 101412807) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol.

Molecular Properties

Compound Name(2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol
PubChem CID101412807
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol
SMILESC=C[C@H]1CO[C@H](CCCC)C[C@H]1O
InChIInChI=1S/C11H20O2/c1-3-5-6-10-7-11(12)9(4-2)8-13-10/h4,9-12H,2-3,5-8H2,1H3/t9-,10+,11+/m0/s1
InChIKeyOAIHAGOKJMOJNU-HBNTYKKESA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylundec-1-en-4-ol
CID 12794264
(3S,4R)-3-methyltridec-1-en-4-ol
CID 11031172
(3R,4R)-3-methyltridec-1-en-4-ol
CID 13096085
3-Methylnon-1-en-4-ol
CID 3742826
1-Cyclohexyl-2-methylbut-3-en-1-ol
CID 11275241
(1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol
CID 13331993
(1R,2R)-1-cyclohexyl-2-methylbut-3-en-1-ol
CID 13331994
(1R,2S)-1-cyclohexyl-2-ethylbut-3-en-1-ol
CID 134965012
(1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
CID 11276209
(1R,2S,3R,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
CID 57681721
(1S,3S)-1-cyclohexylhex-5-ene-1,3-diol
CID 57681723
(1S,3R,4R)-1-cyclohexyl-4-methylhex-5-ene-1,3-diol
CID 57681724

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol?
The IUPAC name of (2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol (CID 101412807) is (2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol.
What is the SMILES notation for (2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol?
The canonical SMILES for (2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol is C=C[C@H]1CO[C@H](CCCC)C[C@H]1O.
What is the InChIKey of (2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol?
The InChIKey is OAIHAGOKJMOJNU-HBNTYKKESA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-10-7-11(12)9(4-2)8-13-10/h4,9-12H,2-3,5-8H2,1H3/t9-,10+,11+/m0/s1.
What are the key properties of (2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol?
(2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-2-butyl-5-ethenyloxan-4-ol is sourced from PubChem (CID 101412807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).