5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol

C20H32O6 — CID 74033823

IUPAC5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol
SMILESC=C1CC23CC(O)C4(O)C(C(O)C(O)C4(C)C)C(C)(O)C2CCC1C3O
InChIInChI=1S/C20H32O6/c1-9-7-19-8-12(21)20(26)14(13(22)16(24)17(20,2)3)18(4,25)11(19)6-5-10(9)15(19)23/h10-16,21-26H,1,5-8H2,2-4H3
InChIKeyHZWINBBXACEGLP-UHFFFAOYSA-N
MW368.47 g/mol
LogP-0.06
Rot. Bonds

About 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol

5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol (PubChem CID 74033823) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol.

Molecular Properties

Compound Name5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol
PubChem CID74033823
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol
SMILESC=C1CC23CC(O)C4(O)C(C(O)C(O)C4(C)C)C(C)(O)C2CCC1C3O
InChIInChI=1S/C20H32O6/c1-9-7-19-8-12(21)20(26)14(13(22)16(24)17(20,2)3)18(4,25)11(19)6-5-10(9)15(19)23/h10-16,21-26H,1,5-8H2,2-4H3
InChIKeyHZWINBBXACEGLP-UHFFFAOYSA-N
XLogP-0.06
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.47
LogP ≤ 5-0.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,3R,4R,6R,7R,8S,9R,10R,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,14,16-heptol
CID 23251839
[(1S,3R,4R,6R,7R,8S,9R,10R,13R,14R,16R)-3,4,6,7,9,14-hexahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] (2S,3S)-3-hydroxy-2-methylbutanoate
CID 11547615
[(1S,3R,4R,6R,7R,8S,9R,10R,13R,14R)-4,6,7,9,14,16-hexahydroxy-5,5,9,14-tetramethyl-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate
CID 23251836
(1S,3R,4R,6R,8S,9S,10R,11S,14R,15R,17R)-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecane-3,4,10,15,17-pentol
CID 129010919
(1S,4R,9R,10S,13S,16R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-16-ol
CID 162975751
(1S,3R,4R,6R,7S,8R,10S,13S,16R)-5,5,14-trimethyl-9-methylidenetetracyclo[11.2.1.01,10.04,8]hexadec-14-ene-3,4,6,7,16-pentol
CID 127040858
(1S,3R,4R,6S,8S,9S,10R,13R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol
CID 10832965
(3R,4R,6S,8S,9R,10R,14R,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,9,14,16-hexol
CID 131635673
(1R,2R,3R,4S,5R,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-2,3-diol
CID 14890256
[(1R,3R,4S,6R,8S,9R,10R,11S,14S,15R,17S)-3,4,10,15-tetrahydroxy-5,5,10,15-tetramethyl-7-oxapentacyclo[12.2.1.01,11.04,9.06,8]heptadecan-17-yl] acetate
CID 154497357
(1R,2R,5R,8S,10R,11S,13R)-12,12-dimethyl-6-methylidene-14-oxapentacyclo[11.2.2.15,8.01,11.02,8]octadecane-10,13-diol
CID 636872
(1S,3S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptane-1,3,4-triol
CID 101264945

Frequently Asked Questions

What is the IUPAC name of 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol?
The IUPAC name of 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol (CID 74033823) is 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol.
What is the SMILES notation for 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol?
The canonical SMILES for 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol is C=C1CC23CC(O)C4(O)C(C(O)C(O)C4(C)C)C(C)(O)C2CCC1C3O.
What is the InChIKey of 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol?
The InChIKey is HZWINBBXACEGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O6/c1-9-7-19-8-12(21)20(26)14(13(22)16(24)17(20,2)3)18(4,25)11(19)6-5-10(9)15(19)23/h10-16,21-26H,1,5-8H2,2-4H3.
What are the key properties of 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol?
5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol has a molecular weight of 368.47 g/mol, XLogP of -0.06, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,8]hexadecane-3,4,6,7,9,16-hexol is sourced from PubChem (CID 74033823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).