(5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane

C20H36O2 — CID 139495068

IUPAC(5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane
SMILESC[C@H]1CC[C@@H]([C@@H]2CCC(CC3CCCCCCC3)OC2)OC1
InChIInChI=1S/C20H36O2/c1-16-9-12-20(22-14-16)18-10-11-19(21-15-18)13-17-7-5-3-2-4-6-8-17/h16-20H,2-15H2,1H3/t16-,18+,19?,20-/m0/s1
InChIKeyZWYXCEGUDYGPRX-UVIIYCAGSA-N
MW308.51 g/mol
LogP5.35
Rot. Bonds3

About (5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane

(5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane (PubChem CID 139495068) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is (5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane.

Molecular Properties

Compound Name(5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane
PubChem CID139495068
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name(5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane
SMILESC[C@H]1CC[C@@H]([C@@H]2CCC(CC3CCCCCCC3)OC2)OC1
InChIInChI=1S/C20H36O2/c1-16-9-12-20(22-14-16)18-10-11-19(21-15-18)13-17-7-5-3-2-4-6-8-17/h16-20H,2-15H2,1H3/t16-,18+,19?,20-/m0/s1
InChIKeyZWYXCEGUDYGPRX-UVIIYCAGSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(5-methyloxan-2-yl)methyl]-1,3-dioxane
CID 167037210
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(2R)-2-ethyl-5-methyloxane
CID 146845250
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
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CID 157385878
CID 157385878
(2S)-2-(4-methylcyclohexyl)oxirane
CID 146186873
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938
N,N-dimethyl-1-(5-methyloxan-2-yl)methanamine
CID 155367091
2-(cyclopentylmethyl)-6-cyclopropylmorpholine
CID 103159121
(2R,5S)-5-methyl-2-prop-2-enyloxane
CID 101272075
3-(5-methyloxan-2-yl)propan-1-ol
CID 145047844
3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 58839769

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane?
The IUPAC name of (5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane (CID 139495068) is (5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane.
What is the SMILES notation for (5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane?
The canonical SMILES for (5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane is C[C@H]1CC[C@@H]([C@@H]2CCC(CC3CCCCCCC3)OC2)OC1.
What is the InChIKey of (5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane?
The InChIKey is ZWYXCEGUDYGPRX-UVIIYCAGSA-N. The full InChI is InChI=1S/C20H36O2/c1-16-9-12-20(22-14-16)18-10-11-19(21-15-18)13-17-7-5-3-2-4-6-8-17/h16-20H,2-15H2,1H3/t16-,18+,19?,20-/m0/s1.
What are the key properties of (5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane?
(5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane has a molecular weight of 308.51 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(cyclooctylmethyl)-5-[(2S,5S)-5-methyloxan-2-yl]oxane is sourced from PubChem (CID 139495068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).