(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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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).