(6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol

C21H36O4 — CID 10360681

IUPAC(6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol
SMILESCC1(C)O[C@H]2CCCCC34CC(O)CC3(CCCC[C@H]2O1)CC(O)C4
InChIInChI=1S/C21H36O4/c1-19(2)24-17-7-3-5-9-20-11-15(22)13-21(20,14-16(23)12-20)10-6-4-8-18(17)25-19/h15-18,22-23H,3-14H2,1-2H3/t15?,16?,17-,18+,20?,21?
InChIKeyWVZKUZVRWCETBA-SJJUATMGSA-N
MW352.52 g/mol
LogP3.92
Rot. Bonds

About (6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol

(6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol (PubChem CID 10360681) has the molecular formula C21H36O4 and a molecular weight of 352.52 g/mol. Its IUPAC name is (6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol.

Molecular Properties

Compound Name(6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol
PubChem CID10360681
Molecular FormulaC21H36O4
Molecular Weight352.52 g/mol
Exact Mass352.26
IUPAC Name(6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol
SMILESCC1(C)O[C@H]2CCCCC34CC(O)CC3(CCCC[C@H]2O1)CC(O)C4
InChIInChI=1S/C21H36O4/c1-19(2)24-17-7-3-5-9-20-11-15(22)13-21(20,14-16(23)12-20)10-6-4-8-18(17)25-19/h15-18,22-23H,3-14H2,1-2H3/t15?,16?,17-,18+,20?,21?
InChIKeyWVZKUZVRWCETBA-SJJUATMGSA-N
XLogP3.92
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol with MolForge

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Related Compounds

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CID 139057879
(1'R,3'aR,9'R,9'aR)-1',8',8'-trimethylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7,9,9a-octahydro-1H-cyclopenta[8]annulene]-9'-ol
CID 139057880
(R)-1-((3aR,5R,6R,6aR)-3a-(2-hydroxyethyl)-5,6-dimethylhexahydro-2H-spiro[pentalene-1,2'-[1,3]dioxolan]-6-yl)pent-3-yn-1-ol
CID 164889759
(R)-1-((3aR,5R,6R,6aR)-3a-((S)-1-hydroxypropan-2-yl)-5,6-dimethylhexahydro-2H-spiro[pentalene-1,2'-[1,3]dioxolan]-6-yl)pent-3-yn-1-ol
CID 164889850
(1'S,2'S,3'aS,6'aR)-1'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 130763756
2,3a,6a-Trimethylspiro[1,3,4,6-tetrahydropentalene-5,2'-1,3-dioxolane]-2-ol
CID 18723432
(3aR,6aS)-hexahydro-1H-spiro[pentalene-2,2'-[1,3]dioxolan]-5-ol
CID 57775756
(1'R,2'R,3'aS,6'aR)-1'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 70404466
8-[(1'R,2'R,3'aS,6'aR)-2'-hydroxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-1'-yl]octane-1,6-diol
CID 70535358
spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 76602173
(2R,3aR,6aS)-6a-methylspiro[1,2,3,3a,4,6-hexahydropentalene-5,2'-1,3-dioxolane]-2-ol
CID 89169050
(1R,3R,4R)-3-[2-(2-heptyl-1,3-dioxolan-2-yl)ethyl]-4-(hydroxymethyl)cyclopentan-1-ol
CID 90350393

Frequently Asked Questions

What is the IUPAC name of (6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol?
The IUPAC name of (6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol (CID 10360681) is (6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol.
What is the SMILES notation for (6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol?
The canonical SMILES for (6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol is CC1(C)O[C@H]2CCCCC34CC(O)CC3(CCCC[C@H]2O1)CC(O)C4.
What is the InChIKey of (6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol?
The InChIKey is WVZKUZVRWCETBA-SJJUATMGSA-N. The full InChI is InChI=1S/C21H36O4/c1-19(2)24-17-7-3-5-9-20-11-15(22)13-21(20,14-16(23)12-20)10-6-4-8-18(17)25-19/h15-18,22-23H,3-14H2,1-2H3/t15?,16?,17-,18+,20?,21?.
What are the key properties of (6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol?
(6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol has a molecular weight of 352.52 g/mol, XLogP of 3.92, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10R)-8,8-dimethyl-7,9-dioxatetracyclo[13.3.3.01,15.06,10]henicosane-17,20-diol is sourced from PubChem (CID 10360681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).