3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol

C34H42O6 — CID 118424571

IUPAC3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol
SMILESCC1CCCC(O)C1OC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C34H42O6/c1-24-13-12-20-29(35)30(24)40-34-33(38-23-28-18-10-5-11-19-28)32(37-22-27-16-8-4-9-17-27)31(25(2)39-34)36-21-26-14-6-3-7-15-26/h3-11,14-19,24-25,29-35H,12-13,20-23H2,1-2H3
InChIKeyYPUDLZHIJCGWIT-UHFFFAOYSA-N
MW546.70 g/mol
LogP6.05
Rot. Bonds11

About 3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol

3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol (PubChem CID 118424571) has the molecular formula C34H42O6 and a molecular weight of 546.70 g/mol. Its IUPAC name is 3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol
PubChem CID118424571
Molecular FormulaC34H42O6
Molecular Weight546.70 g/mol
Exact Mass546.30
IUPAC Name3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol
SMILESCC1CCCC(O)C1OC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C34H42O6/c1-24-13-12-20-29(35)30(24)40-34-33(38-23-28-18-10-5-11-19-28)32(37-22-27-16-8-4-9-17-27)31(25(2)39-34)36-21-26-14-6-3-7-15-26/h3-11,14-19,24-25,29-35H,12-13,20-23H2,1-2H3
InChIKeyYPUDLZHIJCGWIT-UHFFFAOYSA-N
XLogP6.05
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.70
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R,2R,3R)-3-cyclopropyl-2-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol
CID 67245722
6-methyl-2-[6-methyl-2,4,5-tris(phenylmethoxy)oxan-3-yl]oxy-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxyoxan-3-ol
CID 163088861
(2R,3S,4S,5R,6R)-2-methyl-3-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane
CID 11377812
(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2S,3S,4R,5R,6S)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-[(2S,3S,4R,5R,6S)-2-methyl-6-methylsulfanyl-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 11766545
6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol
CID 91325506
2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane
CID 42609162
(2S,3R,5S)-2,6-dimethyl-5-phenylmethoxy-4-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-ol
CID 59491334
(2S,3R,4R,5S,6S)-3,4-dimethoxy-2-[(2S,3R,4R,5S,6S)-4-methoxy-6-methyl-5-phenylmethoxy-2-[(2S,3S,4R,5R,6R)-4,5,6-trimethoxy-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-6-methyl-5-phenylmethoxyoxane
CID 10259312
(3S,4R,5R,6R)-2-methyl-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 167040761
(3R,4R,5S,6S)-4-[(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxy-6-methyl-3,5-bis(phenylmethoxy)oxan-2-ol
CID 11787527

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol?
The IUPAC name of 3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol (CID 118424571) is 3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol?
The canonical SMILES for 3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol is CC1CCCC(O)C1OC1OC(C)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol?
The InChIKey is YPUDLZHIJCGWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42O6/c1-24-13-12-20-29(35)30(24)40-34-33(38-23-28-18-10-5-11-19-28)32(37-22-27-16-8-4-9-17-27)31(25(2)39-34)36-21-26-14-6-3-7-15-26/h3-11,14-19,24-25,29-35H,12-13,20-23H2,1-2H3.
What are the key properties of 3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol?
3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol has a molecular weight of 546.70 g/mol, XLogP of 6.05, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 118424571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).