CID 101115473

C17H28NO7 — CID 101115473

IUPAC—
SMILESCC(C)OC(=O)[C@@H]([NH])C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C17H28NO7/c1-8(2)20-14(19)9(18)7-10-11-12(23-16(3,4)22-11)13-15(21-10)25-17(5,6)24-13/h8-13,15,18H,7H2,1-6H3/t9-,10+,11-,12-,13+,15+/m0/s1
InChIKeyVQHHBNLLLWHJCR-WBWNACRCSA-N
MW358.41 g/mol
LogP1.38
Rot. Bonds4

About CID 101115473

CID 101115473 (PubChem CID 101115473) has the molecular formula C17H28NO7 and a molecular weight of 358.41 g/mol.

Molecular Properties

Compound NameCID 101115473
PubChem CID101115473
Molecular FormulaC17H28NO7
Molecular Weight358.41 g/mol
Exact Mass358.19
IUPAC Name—
SMILESCC(C)OC(=O)[C@@H]([NH])C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C17H28NO7/c1-8(2)20-14(19)9(18)7-10-11-12(23-16(3,4)22-11)13-15(21-10)25-17(5,6)24-13/h8-13,15,18H,7H2,1-6H3/t9-,10+,11-,12-,13+,15+/m0/s1
InChIKeyVQHHBNLLLWHJCR-WBWNACRCSA-N
XLogP1.38
TPSA96.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl (2R)-2-hydroxy-3-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propanoate
CID 11291362
propan-2-yl (2S)-2-amino-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]acetate
CID 101234664
propan-2-yl (2R)-3-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-hydroxypropanoate
CID 101172438
[(1S,2R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-methylprop-2-enoate
CID 22826609
[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-methylprop-2-enoate
CID 122376222
[(1S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl propanoate
CID 66694118
(1S,2R,9S)-8-ethyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 138721407
(1S,2R,6R,8R,9S)-8-ethyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 70895184
[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl (E)-2-cyano-5-methylhex-2-enoate
CID 101428893
[(3aR,4S,6aR)-6-[(1R)-1-acetyloxy-2-[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] acetate
CID 11730978
[(1R,2S,6R,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 97399157
[(1R,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methanol
CID 7057909

Frequently Asked Questions

What is the IUPAC name of CID 101115473?
The IUPAC name of CID 101115473 (CID 101115473) is not available.
What is the SMILES notation for CID 101115473?
The canonical SMILES for CID 101115473 is CC(C)OC(=O)[C@@H]([NH])C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of CID 101115473?
The InChIKey is VQHHBNLLLWHJCR-WBWNACRCSA-N. The full InChI is InChI=1S/C17H28NO7/c1-8(2)20-14(19)9(18)7-10-11-12(23-16(3,4)22-11)13-15(21-10)25-17(5,6)24-13/h8-13,15,18H,7H2,1-6H3/t9-,10+,11-,12-,13+,15+/m0/s1.
What are the key properties of CID 101115473?
CID 101115473 has a molecular weight of 358.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101115473 is sourced from PubChem (CID 101115473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).