(1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol

C16H28O — CID 139085820

IUPAC(1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol
SMILESC[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]3(C)C[C@@]23C[C@H]1O
InChIInChI=1S/C16H28O/c1-11-8-13-14(2,3)6-5-7-15(4)10-16(13,15)9-12(11)17/h11-13,17H,5-10H2,1-4H3/t11-,12-,13-,15+,16+/m1/s1
InChIKeyTUBSLEYEAHUIMJ-UVQHHTHUSA-N
MW236.40 g/mol
LogP4.00
Rot. Bonds

About (1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol

(1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol (PubChem CID 139085820) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol.

Molecular Properties

Compound Name(1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol
PubChem CID139085820
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol
SMILESC[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]3(C)C[C@@]23C[C@H]1O
InChIInChI=1S/C16H28O/c1-11-8-13-14(2,3)6-5-7-15(4)10-16(13,15)9-12(11)17/h11-13,17H,5-10H2,1-4H3/t11-,12-,13-,15+,16+/m1/s1
InChIKeyTUBSLEYEAHUIMJ-UVQHHTHUSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol?
The IUPAC name of (1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol (CID 139085820) is (1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol.
What is the SMILES notation for (1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol?
The canonical SMILES for (1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol is C[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]3(C)C[C@@]23C[C@H]1O.
What is the InChIKey of (1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol?
The InChIKey is TUBSLEYEAHUIMJ-UVQHHTHUSA-N. The full InChI is InChI=1S/C16H28O/c1-11-8-13-14(2,3)6-5-7-15(4)10-16(13,15)9-12(11)17/h11-13,17H,5-10H2,1-4H3/t11-,12-,13-,15+,16+/m1/s1.
What are the key properties of (1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol?
(1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol has a molecular weight of 236.40 g/mol, XLogP of 4.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,8R,10R,11R)-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodecan-11-ol is sourced from PubChem (CID 139085820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).