1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol

C18H38O4 — CID 176704923

IUPAC1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC.CC1CCCC(C)CCC1.OC[C@H]1OCCC(O)C1O
InChIInChI=1S/C10H20.C6H12O4.C2H6/c1-9-5-3-7-10(2)8-4-6-9;7-3-5-6(9)4(8)1-2-10-5;1-2/h9-10H,3-8H2,1-2H3;4-9H,1-3H2;1-2H3/t;4?,5-,6?;/m.1./s1
InChIKeyWZTKDIGGUOFCRU-KABCWARXSA-N
MW318.50 g/mol
LogP3.13
Rot. Bonds1

About 1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol

1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 176704923) has the molecular formula C18H38O4 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID176704923
Molecular FormulaC18H38O4
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol
SMILESCC.CC1CCCC(C)CCC1.OC[C@H]1OCCC(O)C1O
InChIInChI=1S/C10H20.C6H12O4.C2H6/c1-9-5-3-7-10(2)8-4-6-9;7-3-5-6(9)4(8)1-2-10-5;1-2/h9-10H,3-8H2,1-2H3;4-9H,1-3H2;1-2H3/t;4?,5-,6?;/m.1./s1
InChIKeyWZTKDIGGUOFCRU-KABCWARXSA-N
XLogP3.13
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 144507531
(Z)-but-1-ene-1,2-diamine;ethane;2-(hydroxymethyl)oxane-3,4-diol
CID 166480153
(2S,3S,4R)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 89257792
(3S)-2-(hydroxymethyl)-3-methyloxan-4-ol
CID 153374722
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
potassium;(2S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-olate;(2R)-2-(hydroxymethyl)oxane-3,4-diol
CID 177228869
ethane;2-(hydroxymethyl)oxolane-3,4-diol
CID 168985261
(2R,3S,4R,6S)-6-[[(2R,3S,4R,6S)-6-[[(2R,3S,4R)-3,4-dihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 174151873
2-(hydroxymethyl)oxane-3,4-diol;6-methylpyrazin-2-amine
CID 171558060
1-[(3,4-dihydroxyoxan-2-yl)methyl]-3-propan-2-ylurea
CID 176953237
(3S)-2-[(2-hydroxyethylamino)methyl]oxane-3,4-diol
CID 126606523

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of 1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol (CID 176704923) is 1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for 1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for 1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol is CC.CC1CCCC(C)CCC1.OC[C@H]1OCCC(O)C1O.
What is the InChIKey of 1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is WZTKDIGGUOFCRU-KABCWARXSA-N. The full InChI is InChI=1S/C10H20.C6H12O4.C2H6/c1-9-5-3-7-10(2)8-4-6-9;7-3-5-6(9)4(8)1-2-10-5;1-2/h9-10H,3-8H2,1-2H3;4-9H,1-3H2;1-2H3/t;4?,5-,6?;/m.1./s1.
What are the key properties of 1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol?
1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 318.50 g/mol, XLogP of 3.13, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylcyclooctane;ethane;(2R)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 176704923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).