(3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol

C16H26O3 — CID 10912473

IUPAC(3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol
SMILESCC1(C)C(O)C[C@@]2(C)C[C@@H]3CCC4(OCCO4)[C@@H]3[C@@H]12
InChIInChI=1S/C16H26O3/c1-14(2)11(17)9-15(3)8-10-4-5-16(12(10)13(14)15)18-6-7-19-16/h10-13,17H,4-9H2,1-3H3/t10-,11?,12-,13-,15+/m0/s1
InChIKeyMEOLYHGKIYBBQT-UZIWQXISSA-N
MW266.38 g/mol
LogP2.57
Rot. Bonds

About (3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol

(3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol (PubChem CID 10912473) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol.

Molecular Properties

Compound Name(3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol
PubChem CID10912473
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol
SMILESCC1(C)C(O)C[C@@]2(C)C[C@@H]3CCC4(OCCO4)[C@@H]3[C@@H]12
InChIInChI=1S/C16H26O3/c1-14(2)11(17)9-15(3)8-10-4-5-16(12(10)13(14)15)18-6-7-19-16/h10-13,17H,4-9H2,1-3H3/t10-,11?,12-,13-,15+/m0/s1
InChIKeyMEOLYHGKIYBBQT-UZIWQXISSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol with MolForge

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Related Compounds

(1'R,5'R)-6'-chloro-6'-methylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
CID 57413279
(1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
CID 58906732
(1'S,5'R,6'R)-spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]-6'-carboxylic acid
CID 58708482
(3'R)-2',2',8',8'-tetramethylspiro[1,3-dioxolane-2,10'-octahydro-1H-2,4a-methanonapthalene]
CID 138643470
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
(6S,7S,8R)-6-(hydroxymethyl)-7-methoxy-1,4-dioxaspiro[4.5]decan-8-ol
CID 102463401
6'-prop-1-enylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
CID 69063613
(1'R,5'R,6'S)-6'-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
CID 58906733
1-methyl-3-morpholin-4-ylbicyclo[2.2.1]heptan-2-ol
CID 134961999
[(2R,4S)-3,3-dimethyl-1-tricyclo[3.2.2.02,4]nonanyl]methanol
CID 11889225
1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 12936587
(7R)-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-ol
CID 135272503

Frequently Asked Questions

What is the IUPAC name of (3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol?
The IUPAC name of (3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol (CID 10912473) is (3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol.
What is the SMILES notation for (3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol?
The canonical SMILES for (3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol is CC1(C)C(O)C[C@@]2(C)C[C@@H]3CCC4(OCCO4)[C@@H]3[C@@H]12.
What is the InChIKey of (3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol?
The InChIKey is MEOLYHGKIYBBQT-UZIWQXISSA-N. The full InChI is InChI=1S/C16H26O3/c1-14(2)11(17)9-15(3)8-10-4-5-16(12(10)13(14)15)18-6-7-19-16/h10-13,17H,4-9H2,1-3H3/t10-,11?,12-,13-,15+/m0/s1.
What are the key properties of (3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol?
(3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol has a molecular weight of 266.38 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bR,6aR,7aS)-4,4,6a-trimethylspiro[1,2,3a,3b,5,6,7,7a-octahydrocyclopenta[a]pentalene-3,2'-1,3-dioxolane]-5-ol is sourced from PubChem (CID 10912473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).