(2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane

C18H32O4 — CID 71287954

IUPAC(2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane
SMILESCC1CCC[C@@H](OC2CCCC(O[C@@H]3CCC[C@@H](C)O3)C2)O1
InChIInChI=1S/C18H32O4/c1-13-6-3-10-17(19-13)21-15-8-5-9-16(12-15)22-18-11-4-7-14(2)20-18/h13-18H,3-12H2,1-2H3/t13-,14?,15?,16?,17-,18-/m1/s1
InChIKeyFKTSCJCQYVEMLG-HIOMSYCOSA-N
MW312.45 g/mol
LogP4.16
Rot. Bonds4

About (2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane

(2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane (PubChem CID 71287954) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is (2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane.

Molecular Properties

Compound Name(2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane
PubChem CID71287954
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name(2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane
SMILESCC1CCC[C@@H](OC2CCCC(O[C@@H]3CCC[C@@H](C)O3)C2)O1
InChIInChI=1S/C18H32O4/c1-13-6-3-10-17(19-13)21-15-8-5-9-16(12-15)22-18-11-4-7-14(2)20-18/h13-18H,3-12H2,1-2H3/t13-,14?,15?,16?,17-,18-/m1/s1
InChIKeyFKTSCJCQYVEMLG-HIOMSYCOSA-N
XLogP4.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane?
The IUPAC name of (2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane (CID 71287954) is (2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane.
What is the SMILES notation for (2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane?
The canonical SMILES for (2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane is CC1CCC[C@@H](OC2CCCC(O[C@@H]3CCC[C@@H](C)O3)C2)O1.
What is the InChIKey of (2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane?
The InChIKey is FKTSCJCQYVEMLG-HIOMSYCOSA-N. The full InChI is InChI=1S/C18H32O4/c1-13-6-3-10-17(19-13)21-15-8-5-9-16(12-15)22-18-11-4-7-14(2)20-18/h13-18H,3-12H2,1-2H3/t13-,14?,15?,16?,17-,18-/m1/s1.
What are the key properties of (2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane?
(2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane has a molecular weight of 312.45 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-methyl-6-[3-[(2R)-6-methyloxan-2-yl]oxycyclohexyl]oxyoxane is sourced from PubChem (CID 71287954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).