(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid

C15H24O2 — CID 11831435

IUPAC(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid
SMILESCC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]([C@@H]31)[C@@H]2C(=O)O
InChIInChI=1S/C15H24O2/c1-14(2)7-4-8-15(3)10-6-5-9(11(10)14)12(15)13(16)17/h9-12H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11-,12+,15-/m0/s1
InChIKeyKROJPNVXPGQHLH-NQUGEPOWSA-N
MW236.35 g/mol
LogP3.56
Rot. Bonds1

About (1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid

(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid (PubChem CID 11831435) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid
PubChem CID11831435
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid
SMILESCC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]([C@@H]31)[C@@H]2C(=O)O
InChIInChI=1S/C15H24O2/c1-14(2)7-4-8-15(3)10-6-5-9(11(10)14)12(15)13(16)17/h9-12H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11-,12+,15-/m0/s1
InChIKeyKROJPNVXPGQHLH-NQUGEPOWSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid?
The IUPAC name of (1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid (CID 11831435) is (1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid.
What is the SMILES notation for (1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid?
The canonical SMILES for (1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid is CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]([C@@H]31)[C@@H]2C(=O)O.
What is the InChIKey of (1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid?
The InChIKey is KROJPNVXPGQHLH-NQUGEPOWSA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2)7-4-8-15(3)10-6-5-9(11(10)14)12(15)13(16)17/h9-12H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11-,12+,15-/m0/s1.
What are the key properties of (1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid?
(1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid has a molecular weight of 236.35 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7S,8S,9S)-3,3,7-trimethyltricyclo[5.4.0.02,9]undecane-8-carboxylic acid is sourced from PubChem (CID 11831435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).