(1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane

C15H24 — CID 98459467

IUPAC(1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane
SMILESCC1(C)CCC[C@@]2(C)[C@@H]3C[C@H]4[C@@H]([C@H]31)[C@]42C
InChIInChI=1S/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m1/s1
InChIKeyWCEIQUQVIOGRBF-YLHZTVIJSA-N
MW204.36 g/mol
LogP4.10
Rot. Bonds

About (1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane

(1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane (PubChem CID 98459467) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane.

Molecular Properties

Compound Name(1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane
PubChem CID98459467
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane
SMILESCC1(C)CCC[C@@]2(C)[C@@H]3C[C@H]4[C@@H]([C@H]31)[C@]42C
InChIInChI=1S/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m1/s1
InChIKeyWCEIQUQVIOGRBF-YLHZTVIJSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,7R,8S,9S,10R)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane
CID 138394874
(1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 101316913
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
(1S,2R,7R,8R,9S)-8-hydroxy-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-11-one
CID 162623234
2,6,6,10,11-pentamethyl-14-oxatetracyclo[9.2.1.01,10.02,7]tetradecane
CID 539256
(10R)-2,6,6-trimethyl-9-methylidenetricyclo[5.4.0.02,8]undecan-10-ol
CID 91748036
9-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.4.0.02,9]undecane-8,11-diol
CID 162973711
11-methyl-9-oxapentacyclo[9.3.0.01,5.02,4.06,10]tetradecane
CID 148710272
1,2,3,10,12-pentamethylpentacyclo[5.5.0.02,6.04,10.08,12]dodecane
CID 123405539
(1R,2S,7R,10R)-3,3,7-trimethyltricyclo[5.5.0.02,10]dodecan-8-one
CID 134922448
(8S)-2,3,3,7,7,8-hexamethylazocane
CID 89004687
(1S,2S,7R,9R)-8-(diiodomethylidene)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane
CID 134901884

Frequently Asked Questions

What is the IUPAC name of (1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane?
The IUPAC name of (1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane (CID 98459467) is (1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane.
What is the SMILES notation for (1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane?
The canonical SMILES for (1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane is CC1(C)CCC[C@@]2(C)[C@@H]3C[C@H]4[C@@H]([C@H]31)[C@]42C.
What is the InChIKey of (1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane?
The InChIKey is WCEIQUQVIOGRBF-YLHZTVIJSA-N. The full InChI is InChI=1S/C15H24/c1-13(2)6-5-7-14(3)9-8-10-12(11(9)13)15(10,14)4/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m1/s1.
What are the key properties of (1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane?
(1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane has a molecular weight of 204.36 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7S,8S,9S,10S)-2,6,6,9-tetramethyltetracyclo[5.4.0.02,9.08,10]undecane is sourced from PubChem (CID 98459467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).