CID 177437162

C22H32O8 — CID 177437162

IUPAC—
SMILESCOC1=C(OC)CC2([C]O[C@@]3(C2)[C@H]2OC(C)(C)O[C@H]2CO[C@@]32COC(C)(C)O2)CC1
InChIInChI=1S/C22H32O8/c1-18(2)26-13-22(30-18)21(17-16(10-25-22)28-19(3,4)29-17)11-20(12-27-21)8-7-14(23-5)15(9-20)24-6/h16-17H,7-11,13H2,1-6H3/t16-,17-,20?,21-,22+/m0/s1
InChIKeyBFWPZNZZWXFZOZ-BJVIOOSJSA-N
MW424.49 g/mol
LogP2.89
Rot. Bonds2

About CID 177437162

CID 177437162 (PubChem CID 177437162) has the molecular formula C22H32O8 and a molecular weight of 424.49 g/mol.

Molecular Properties

Compound NameCID 177437162
PubChem CID177437162
Molecular FormulaC22H32O8
Molecular Weight424.49 g/mol
Exact Mass424.21
IUPAC Name—
SMILESCOC1=C(OC)CC2([C]O[C@@]3(C2)[C@H]2OC(C)(C)O[C@H]2CO[C@@]32COC(C)(C)O2)CC1
InChIInChI=1S/C22H32O8/c1-18(2)26-13-22(30-18)21(17-16(10-25-22)28-19(3,4)29-17)11-20(12-27-21)8-7-14(23-5)15(9-20)24-6/h16-17H,7-11,13H2,1-6H3/t16-,17-,20?,21-,22+/m0/s1
InChIKeyBFWPZNZZWXFZOZ-BJVIOOSJSA-N
XLogP2.89
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CID 101463874
CID 101463874
CID 24808857
CID 24808857
(3'aS,4R,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101246367
(3'aR,4S,7'S,7'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 12719660
(3'aS,7'S,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 11118797
(3aR,6S,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxirane]
CID 123900115
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxirane]
CID 85291465
(3aR,4S,6aR)-4-fluoro-4-[(S)-fluoro(methoxy)methyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 101117701
(3'aS,4R,7'R,7'aS)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,4'-3a,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-7'-ol
CID 101152992
(3'aR,4S,7'S,7'aR)-7'-[(4-methoxyphenyl)methoxymethoxy]-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]
CID 15498581
(3aS,7R,7aS)-7-hydroxy-2,2,7-trimethyl-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-one
CID 102026058
(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
CID 71019394

Frequently Asked Questions

What is the IUPAC name of CID 177437162?
The IUPAC name of CID 177437162 (CID 177437162) is not available.
What is the SMILES notation for CID 177437162?
The canonical SMILES for CID 177437162 is COC1=C(OC)CC2([C]O[C@@]3(C2)[C@H]2OC(C)(C)O[C@H]2CO[C@@]32COC(C)(C)O2)CC1.
What is the InChIKey of CID 177437162?
The InChIKey is BFWPZNZZWXFZOZ-BJVIOOSJSA-N. The full InChI is InChI=1S/C22H32O8/c1-18(2)26-13-22(30-18)21(17-16(10-25-22)28-19(3,4)29-17)11-20(12-27-21)8-7-14(23-5)15(9-20)24-6/h16-17H,7-11,13H2,1-6H3/t16-,17-,20?,21-,22+/m0/s1.
What are the key properties of CID 177437162?
CID 177437162 has a molecular weight of 424.49 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177437162 is sourced from PubChem (CID 177437162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).