chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione

C29H53ClN2O8 — CID 143937389

About chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione

chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione (PubChem CID 143937389) has the molecular formula C29H53ClN2O8 and a molecular weight of 593.20 g/mol. Its IUPAC name is chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione.

Molecular Properties

• Compound Name: chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione
• PubChem CID: 143937389
• Molecular Formula: C29H53ClN2O8
• Molecular Weight: 593.20 g/mol
• Exact Mass: 592.35
• IUPAC Name: chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione
• SMILES: C=CCOC1C[C@@H](C)NC(=O)C(C)C(O)[C@](C)(O)COC(=O)C(C)CC[C@H]1OC1CC(N(C)C)CC(C)O1.CCl
• InChI: InChI=1S/C28H50N2O8.CH3Cl/c1-9-12-35-23-13-18(3)29-26(32)20(5)25(31)28(6,34)16-36-27(33)17(2)10-11-22(23)38-24-15-21(30(7)8)14-19(4)37-24;1-2/h9,17-25,31,34H,1,10-16H2,2-8H3,(H,29,32);1H3/t17?,18-,19?,20?,21?,22-,23?,24?,25?,28-;/m1./s1
• InChIKey: CYAKAIODZZKUIR-LVKGEFCLSA-N
• XLogP: 2.87
• TPSA: 126.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.20
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione?

The IUPAC name of chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione (CID 143937389) is chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione.

What is the SMILES notation for chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione?

The canonical SMILES for chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione is C=CCOC1C[C@@H](C)NC(=O)C(C)C(O)[C@](C)(O)COC(=O)C(C)CC[C@H]1OC1CC(N(C)C)CC(C)O1.CCl.

What is the InChIKey of chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione?

The InChIKey is CYAKAIODZZKUIR-LVKGEFCLSA-N. The full InChI is InChI=1S/C28H50N2O8.CH3Cl/c1-9-12-35-23-13-18(3)29-26(32)20(5)25(31)28(6,34)16-36-27(33)17(2)10-11-22(23)38-24-15-21(30(7)8)14-19(4)37-24;1-2/h9,17-25,31,34H,1,10-16H2,2-8H3,(H,29,32);1H3/t17?,18-,19?,20?,21?,22-,23?,24?,25?,28-;/m1./s1.

What are the key properties of chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione?

chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione has a molecular weight of 593.20 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for chloromethane;(3R,8R,11R)-11-[4-(dimethylamino)-6-methyloxan-2-yl]oxy-3,4-dihydroxy-3,5,8,14-tetramethyl-10-prop-2-enoxy-1-oxa-7-azacyclopentadecane-6,15-dione is sourced from PubChem (CID 143937389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).