(3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane]

C22H32O3 — CID 18635399

IUPAC(3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane]
SMILESCOC12CCC[C@]1(C)CC=C1C(C)=C3CC4(CCC3CC12)OCCO4
InChIInChI=1S/C22H32O3/c1-15-17-6-9-20(2)7-4-8-22(20,23-3)19(17)13-16-5-10-21(14-18(15)16)24-11-12-25-21/h6,16,19H,4-5,7-14H2,1-3H3/t16?,19?,20-,22?/m1/s1
InChIKeyKDIAIDHGIOIQKO-YDTYHVGYSA-N
MW344.50 g/mol
LogP4.77
Rot. Bonds1

About (3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane]

(3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane] (PubChem CID 18635399) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is (3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane].

Molecular Properties

Compound Name(3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane]
PubChem CID18635399
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name(3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane]
SMILESCOC12CCC[C@]1(C)CC=C1C(C)=C3CC4(CCC3CC12)OCCO4
InChIInChI=1S/C22H32O3/c1-15-17-6-9-20(2)7-4-8-22(20,23-3)19(17)13-16-5-10-21(14-18(15)16)24-11-12-25-21/h6,16,19H,4-5,7-14H2,1-3H3/t16?,19?,20-,22?/m1/s1
InChIKeyKDIAIDHGIOIQKO-YDTYHVGYSA-N
XLogP4.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane]?
The IUPAC name of (3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane] (CID 18635399) is (3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane].
What is the SMILES notation for (3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane]?
The canonical SMILES for (3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane] is COC12CCC[C@]1(C)CC=C1C(C)=C3CC4(CCC3CC12)OCCO4.
What is the InChIKey of (3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane]?
The InChIKey is KDIAIDHGIOIQKO-YDTYHVGYSA-N. The full InChI is InChI=1S/C22H32O3/c1-15-17-6-9-20(2)7-4-8-22(20,23-3)19(17)13-16-5-10-21(14-18(15)16)24-11-12-25-21/h6,16,19H,4-5,7-14H2,1-3H3/t16?,19?,20-,22?/m1/s1.
What are the key properties of (3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane]?
(3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane] has a molecular weight of 344.50 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane] is sourced from PubChem (CID 18635399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).