(2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol

C10H18O2 — CID 54473259

IUPAC(2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol
SMILESC=C1O[C@H](CC)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C10H18O2/c1-5-9-7(3)10(11)6(2)8(4)12-9/h6-7,9-11H,4-5H2,1-3H3/t6-,7-,9+,10+/m0/s1
InChIKeyXJTSHVFPPLEBJP-AKEJEFCPSA-N
MW170.25 g/mol
LogP1.94
Rot. Bonds1

About (2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol

(2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol (PubChem CID 54473259) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol
PubChem CID54473259
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol
SMILESC=C1O[C@H](CC)[C@H](C)[C@H](O)[C@H]1C
InChIInChI=1S/C10H18O2/c1-5-9-7(3)10(11)6(2)8(4)12-9/h6-7,9-11H,4-5H2,1-3H3/t6-,7-,9+,10+/m0/s1
InChIKeyXJTSHVFPPLEBJP-AKEJEFCPSA-N
XLogP1.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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,3R,4R)-1-cyclohexyl-4-methylhex-5-ene-1,3-diol
CID 57681724
(1R,2S,3S)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol
CID 57681732
(1S,3R,4S)-1-cyclohexyl-4-methylhex-5-ene-1,3-diol
CID 57681734
(2S,3R,4S,5R)-3,5-dimethyl-6-methylideneoctane-2,4-diol
CID 16043651
(2R)-2-[(2S,5S,6S)-6-[(2S)-but-3-en-2-yl]-5-methyloxan-2-yl]propan-1-ol
CID 16680391
(2R,3S,4S,5S,6R)-2-[(2R)-but-3-en-2-yl]-6-(iodomethyl)-3,5-dimethyloxan-4-ol
CID 54756608
(3S,4R)-3-prop-1-en-2-yloxan-4-ol
CID 122367347
(1R,2R)-1-cyclohexyl-2-prop-1-en-2-ylpentane-1,3-diol
CID 134903571
(1R,2R)-1-cyclohexyl-4-methyl-2-prop-1-en-2-ylpentane-1,3-diol
CID 134903572
(3R,4R,5R,6S)-2-[(2S)-but-3-en-2-yl]-6-(iodomethyl)-3,5-dimethyloxan-4-ol
CID 134953297

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol?
The IUPAC name of (2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol (CID 54473259) is (2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol.
What is the SMILES notation for (2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol?
The canonical SMILES for (2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol is C=C1O[C@H](CC)[C@H](C)[C@H](O)[C@H]1C.
What is the InChIKey of (2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol?
The InChIKey is XJTSHVFPPLEBJP-AKEJEFCPSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-9-7(3)10(11)6(2)8(4)12-9/h6-7,9-11H,4-5H2,1-3H3/t6-,7-,9+,10+/m0/s1.
What are the key properties of (2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol?
(2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol has a molecular weight of 170.25 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-ethyl-3,5-dimethyl-6-methylideneoxan-4-ol is sourced from PubChem (CID 54473259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).