4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane

C37H71NO7V — CID 142034706

IUPAC4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane
SMILESCC1CC(N(C)C)CC(O)O1.CCC1OC(=O)C(C)C(O)C(C)CC(C)C[C@@H](C)C(=[V])[C@H](C)C[C@H]1C.CO[C@]1(C)CCOC(C)C1
InChIInChI=1S/C21H38O3.C8H17NO2.C8H16O2.V/c1-8-19-16(5)11-14(3)9-13(2)10-15(4)12-17(6)20(22)18(7)21(23)24-19;1-6-4-7(9(2)3)5-8(10)11-6;1-7-6-8(2,9-3)4-5-10-7;/h13-20,22H,8,10-12H2,1-7H3;6-8,10H,4-5H2,1-3H3;7H,4-6H2,1-3H3;/t13-,14-,15?,16+,17?,18?,19?,20?;;7?,8-;/m0.1./s1
InChIKeyBROVOUGOYRRUKH-VNNSZUQYSA-N
MW692.92 g/mol
LogP6.41
Rot. Bonds3

About 4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane

4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane (PubChem CID 142034706) has the molecular formula C37H71NO7V and a molecular weight of 692.92 g/mol. Its IUPAC name is 4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane.

Molecular Properties

Compound Name4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane
PubChem CID142034706
Molecular FormulaC37H71NO7V
Molecular Weight692.92 g/mol
Exact Mass692.47
IUPAC Name4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane
SMILESCC1CC(N(C)C)CC(O)O1.CCC1OC(=O)C(C)C(O)C(C)CC(C)C[C@@H](C)C(=[V])[C@H](C)C[C@H]1C.CO[C@]1(C)CCOC(C)C1
InChIInChI=1S/C21H38O3.C8H17NO2.C8H16O2.V/c1-8-19-16(5)11-14(3)9-13(2)10-15(4)12-17(6)20(22)18(7)21(23)24-19;1-6-4-7(9(2)3)5-8(10)11-6;1-7-6-8(2,9-3)4-5-10-7;/h13-20,22H,8,10-12H2,1-7H3;6-8,10H,4-5H2,1-3H3;7H,4-6H2,1-3H3;/t13-,14-,15?,16+,17?,18?,19?,20?;;7?,8-;/m0.1./s1
InChIKeyBROVOUGOYRRUKH-VNNSZUQYSA-N
XLogP6.41
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.92
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane with MolForge

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Related Compounds

(2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 142182626
(7R)-13-amino-14-ethyl-4-hydroxy-7-methoxy-3,5,7,9-tetramethyl-oxacyclotetradecane-2,10-dione;2,4-dimethyloxane;(2-hydroxy-6-methyloxan-4-yl)-dimethylazanium;methanamine;methanol
CID 142085337
(3R,4S,5R,7S,11S,12R,13R,14R)-14-ethyl-4,10,12-trihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecan-2-one
CID 59895535
(2R,8R,10R,11R,12S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-5,8,10,12,14-pentamethyl-1-oxa-6-azacyclopentadecan-15-one;ethane;1-ethoxy-3-methoxypropane-1,3-diol;N-methylpropan-1-amine
CID 142182625
(3R,4S,5S,7R,9Z,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
CID 6441955
(3R,4S,5S,6R,7R,9R,11R,13R,14R)-14-ethyl-7-hydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 11343113
2-[(2R,3S,10S,11S,12S,13S)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-13-methoxy-3,5,10,12,14-pentamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]acetonitrile;2,4-dimethyloxane;ethane;methoxymethane
CID 143275425
(1R,2R,6S,7S,8R,9R,11R,15S)-8-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-6-[[(2R,4S)-4-methoxy-4,6-dimethyloxan-2-yl]oxymethyl]-1,5,7,9,11,13,14-heptamethyl-3,16,18-trioxa-13-azabicyclo[13.3.0]octadecane-4,17-dione
CID 143325219
(3R,4S,6R,7S,9R,11R,12S,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,12-dihydroxy-3,7,9,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
CID 59986244
(9E)-4-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-ethyl-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
CID 20845996
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,5S,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 134843283
(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,4S,6R)-4-(dimethylamino)-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CID 142146040

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane?
The IUPAC name of 4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane (CID 142034706) is 4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane.
What is the SMILES notation for 4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane?
The canonical SMILES for 4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane is CC1CC(N(C)C)CC(O)O1.CCC1OC(=O)C(C)C(O)C(C)CC(C)C[C@@H](C)C(=[V])[C@H](C)C[C@H]1C.CO[C@]1(C)CCOC(C)C1.
What is the InChIKey of 4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane?
The InChIKey is BROVOUGOYRRUKH-VNNSZUQYSA-N. The full InChI is InChI=1S/C21H38O3.C8H17NO2.C8H16O2.V/c1-8-19-16(5)11-14(3)9-13(2)10-15(4)12-17(6)20(22)18(7)21(23)24-19;1-6-4-7(9(2)3)5-8(10)11-6;1-7-6-8(2,9-3)4-5-10-7;/h13-20,22H,8,10-12H2,1-7H3;6-8,10H,4-5H2,1-3H3;7H,4-6H2,1-3H3;/t13-,14-,15?,16+,17?,18?,19?,20?;;7?,8-;/m0.1./s1.
What are the key properties of 4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane?
4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane has a molecular weight of 692.92 g/mol, XLogP of 6.41, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-methyloxan-2-ol;[(3R,5R,7R)-2-ethyl-12-hydroxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]vanadium;(4R)-4-methoxy-2,4-dimethyloxane is sourced from PubChem (CID 142034706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).