(2R,4R)-2-butyl-5-ethenylideneoxan-4-ol

C11H18O2 — CID 101412808

IUPAC(2R,4R)-2-butyl-5-ethenylideneoxan-4-ol
SMILESC=C=C1CO[C@H](CCCC)C[C@H]1O
InChIInChI=1S/C11H18O2/c1-3-5-6-10-7-11(12)9(4-2)8-13-10/h10-12H,2-3,5-8H2,1H3/t10-,11-/m1/s1
InChIKeyUKPNRXGXIQDDGW-GHMZBOCLSA-N
MW182.26 g/mol
LogP2.04
Rot. Bonds3

About (2R,4R)-2-butyl-5-ethenylideneoxan-4-ol

(2R,4R)-2-butyl-5-ethenylideneoxan-4-ol (PubChem CID 101412808) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2R,4R)-2-butyl-5-ethenylideneoxan-4-ol.

Molecular Properties

Compound Name(2R,4R)-2-butyl-5-ethenylideneoxan-4-ol
PubChem CID101412808
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2R,4R)-2-butyl-5-ethenylideneoxan-4-ol
SMILESC=C=C1CO[C@H](CCCC)C[C@H]1O
InChIInChI=1S/C11H18O2/c1-3-5-6-10-7-11(12)9(4-2)8-13-10/h10-12H,2-3,5-8H2,1H3/t10-,11-/m1/s1
InChIKeyUKPNRXGXIQDDGW-GHMZBOCLSA-N
XLogP2.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylideneoctane-1,3-diol
CID 12022132
(3S)-4-methylideneoctane-1,3-diol
CID 76764303
2-Methylene-1,3-octanediol
CID 13616434
2-Methylnon-1-ene-3,5-diol
CID 17860407
6-Ethenylideneundecane-5,7-diol
CID 88717945
2-Methyl-6-prop-1-en-2-yloxane-3,4,5-triol
CID 90820165
2-(5,6-Dimethylideneoxan-2-yl)ethanol
CID 123437750
3-[(2S,5S)-4-methylidene-5-[2-[(2R,6R)-6-methyl-5-methylideneoxan-2-yl]ethyl]oxolan-2-yl]propan-1-ol
CID 134243781
5-[(4R)-6-ethyl-4-methyl-5-methylideneoxan-2-yl]-3-methoxy-2-methylidenepentan-1-ol
CID 137507571
(2R)-1-[3-methylidene-6-[2-(5-methyl-3-methylideneoxolan-2-yl)ethyl]oxan-2-yl]propan-2-ol
CID 142483283
methane;[(2S,6R)-6-prop-1-en-2-yloxan-2-yl]methanol
CID 145529452
(2R)-1-(6-ethyl-4-methyl-3-methylideneoxan-2-yl)propan-2-ol
CID 155032689

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-butyl-5-ethenylideneoxan-4-ol?
The IUPAC name of (2R,4R)-2-butyl-5-ethenylideneoxan-4-ol (CID 101412808) is (2R,4R)-2-butyl-5-ethenylideneoxan-4-ol.
What is the SMILES notation for (2R,4R)-2-butyl-5-ethenylideneoxan-4-ol?
The canonical SMILES for (2R,4R)-2-butyl-5-ethenylideneoxan-4-ol is C=C=C1CO[C@H](CCCC)C[C@H]1O.
What is the InChIKey of (2R,4R)-2-butyl-5-ethenylideneoxan-4-ol?
The InChIKey is UKPNRXGXIQDDGW-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-6-10-7-11(12)9(4-2)8-13-10/h10-12H,2-3,5-8H2,1H3/t10-,11-/m1/s1.
What are the key properties of (2R,4R)-2-butyl-5-ethenylideneoxan-4-ol?
(2R,4R)-2-butyl-5-ethenylideneoxan-4-ol has a molecular weight of 182.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-butyl-5-ethenylideneoxan-4-ol is sourced from PubChem (CID 101412808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).