(4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid

C19H32O6 — CID 67779844

IUPAC(4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid
SMILESC[C@H](CCC(=O)O)CC(=O)OC1CCC(OC2CCC(O)CC2)CC1
InChIInChI=1S/C19H32O6/c1-13(2-11-18(21)22)12-19(23)25-17-9-7-16(8-10-17)24-15-5-3-14(20)4-6-15/h13-17,20H,2-12H2,1H3,(H,21,22)/t13-,14?,15?,16?,17?/m1/s1
InChIKeyCLKRRMWSQRNCHZ-CWJHNBGESA-N
MW356.46 g/mol
LogP3.05
Rot. Bonds8

About (4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid

(4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid (PubChem CID 67779844) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is (4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid.

Molecular Properties

Compound Name(4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid
PubChem CID67779844
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name(4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid
SMILESC[C@H](CCC(=O)O)CC(=O)OC1CCC(OC2CCC(O)CC2)CC1
InChIInChI=1S/C19H32O6/c1-13(2-11-18(21)22)12-19(23)25-17-9-7-16(8-10-17)24-15-5-3-14(20)4-6-15/h13-17,20H,2-12H2,1H3,(H,21,22)/t13-,14?,15?,16?,17?/m1/s1
InChIKeyCLKRRMWSQRNCHZ-CWJHNBGESA-N
XLogP3.05
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid?
The IUPAC name of (4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid (CID 67779844) is (4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid.
What is the SMILES notation for (4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid?
The canonical SMILES for (4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid is C[C@H](CCC(=O)O)CC(=O)OC1CCC(OC2CCC(O)CC2)CC1.
What is the InChIKey of (4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid?
The InChIKey is CLKRRMWSQRNCHZ-CWJHNBGESA-N. The full InChI is InChI=1S/C19H32O6/c1-13(2-11-18(21)22)12-19(23)25-17-9-7-16(8-10-17)24-15-5-3-14(20)4-6-15/h13-17,20H,2-12H2,1H3,(H,21,22)/t13-,14?,15?,16?,17?/m1/s1.
What are the key properties of (4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid?
(4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid has a molecular weight of 356.46 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[4-(4-hydroxycyclohexyl)oxycyclohexyl]oxy-4-methyl-6-oxohexanoic acid is sourced from PubChem (CID 67779844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).