2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol

C20H34O2 — CID 14845624

IUPAC2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol
SMILESCC1(C)CCCC2(C)C1CCC1CC3(O)CC12CCC3(C)O
InChIInChI=1S/C20H34O2/c1-16(2)8-5-9-17(3)15(16)7-6-14-12-20(22)13-19(14,17)11-10-18(20,4)21/h14-15,21-22H,5-13H2,1-4H3
InChIKeyJACPJMMFBVQTHJ-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.29
Rot. Bonds

About 2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol

2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol (PubChem CID 14845624) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol.

Molecular Properties

Compound Name2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol
PubChem CID14845624
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol
SMILESCC1(C)CCCC2(C)C1CCC1CC3(O)CC12CCC3(C)O
InChIInChI=1S/C20H34O2/c1-16(2)8-5-9-17(3)15(16)7-6-14-12-20(22)13-19(14,17)11-10-18(20,4)21/h14-15,21-22H,5-13H2,1-4H3
InChIKeyJACPJMMFBVQTHJ-UHFFFAOYSA-N
XLogP4.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane
CID 74318302
(1S,2S,7S,10S,12R)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadec-13-ene
CID 15907362
(1R,2R,4aS,8aS)-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,2-diol
CID 11219065
(1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
CID 90662481
2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-2-ol
CID 538946
(1S,4R,9S,10S,13R,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
CID 162952057
(1R,4S,9S,10S,13S,14R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
CID 22295571
[(2R,4aS,4bS,8aS,10aS)-3,4a,4b,8,8-pentamethyl-2,3,4,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-yl] acetate
CID 134577052
3a,6,6,9a-tetramethyl-1,2,4,5,5a,7,8,9-octahydrobenzo[e][1]benzofuran-9b-ol
CID 57019683
(4R,9R,10R,14S)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
CID 5318783
(1S,2S,7S,10R,11S,12R)-2,6,6,10,12-pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-ol
CID 7002179
2-hydroxy-1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carbaldehyde
CID 155249953

Frequently Asked Questions

What is the IUPAC name of 2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol?
The IUPAC name of 2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol (CID 14845624) is 2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol.
What is the SMILES notation for 2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol?
The canonical SMILES for 2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol is CC1(C)CCCC2(C)C1CCC1CC3(O)CC12CCC3(C)O.
What is the InChIKey of 2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol?
The InChIKey is JACPJMMFBVQTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-16(2)8-5-9-17(3)15(16)7-6-14-12-20(22)13-19(14,17)11-10-18(20,4)21/h14-15,21-22H,5-13H2,1-4H3.
What are the key properties of 2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol?
2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol has a molecular weight of 306.49 g/mol, XLogP of 4.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol is sourced from PubChem (CID 14845624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).