[(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol

C18H27NO3 — CID 11483570

IUPAC[(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol
SMILESCC(C)[C@@H]1C[C@@H](CO)O[C@]12O[C@@H](c1ccccc1)[C@H](C)N2C
InChIInChI=1S/C18H27NO3/c1-12(2)16-10-15(11-20)21-18(16)19(4)13(3)17(22-18)14-8-6-5-7-9-14/h5-9,12-13,15-17,20H,10-11H2,1-4H3/t13-,15-,16-,17+,18-/m0/s1
InChIKeySNUBXWZAKGSKIF-FUJDEKNSSA-N
MW305.42 g/mol
LogP2.79
Rot. Bonds3

About [(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol

[(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol (PubChem CID 11483570) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is [(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol
PubChem CID11483570
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name[(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol
SMILESCC(C)[C@@H]1C[C@@H](CO)O[C@]12O[C@@H](c1ccccc1)[C@H](C)N2C
InChIInChI=1S/C18H27NO3/c1-12(2)16-10-15(11-20)21-18(16)19(4)13(3)17(22-18)14-8-6-5-7-9-14/h5-9,12-13,15-17,20H,10-11H2,1-4H3/t13-,15-,16-,17+,18-/m0/s1
InChIKeySNUBXWZAKGSKIF-FUJDEKNSSA-N
XLogP2.79
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol?
The IUPAC name of [(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol (CID 11483570) is [(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol.
What is the SMILES notation for [(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol?
The canonical SMILES for [(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol is CC(C)[C@@H]1C[C@@H](CO)O[C@]12O[C@@H](c1ccccc1)[C@H](C)N2C.
What is the InChIKey of [(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol?
The InChIKey is SNUBXWZAKGSKIF-FUJDEKNSSA-N. The full InChI is InChI=1S/C18H27NO3/c1-12(2)16-10-15(11-20)21-18(16)19(4)13(3)17(22-18)14-8-6-5-7-9-14/h5-9,12-13,15-17,20H,10-11H2,1-4H3/t13-,15-,16-,17+,18-/m0/s1.
What are the key properties of [(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol?
[(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol has a molecular weight of 305.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5R,7S,9S)-3,4-dimethyl-2-phenyl-9-propan-2-yl-1,6-dioxa-4-azaspiro[4.4]nonan-7-yl]methanol is sourced from PubChem (CID 11483570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).