(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid

C11H16O2 — CID 131113488

IUPAC(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid
SMILESO=C(O)C1[C@H]2CC[C@@H]1[C@H]1CCC[C@H]12
InChIInChI=1S/C11H16O2/c12-11(13)10-8-4-5-9(10)7-3-1-2-6(7)8/h6-10H,1-5H2,(H,12,13)/t6-,7+,8+,9-,10?
InChIKeyYCOCZWBKIBDFRV-ZGHGJDBCSA-N
MW180.25 g/mol
LogP2.14
Rot. Bonds1

About (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid

(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid (PubChem CID 131113488) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid
PubChem CID131113488
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid
SMILESO=C(O)C1[C@H]2CC[C@@H]1[C@H]1CCC[C@H]12
InChIInChI=1S/C11H16O2/c12-11(13)10-8-4-5-9(10)7-3-1-2-6(7)8/h6-10H,1-5H2,(H,12,13)/t6-,7+,8+,9-,10?
InChIKeyYCOCZWBKIBDFRV-ZGHGJDBCSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,4S)-bicyclo[2.1.0]pentane-5-carboxylic acid
CID 55300069
(2S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 134081589
(1S,2S,5S,6S)-tricyclo[4.2.1.12,5]decane-9,10-dicarboxylic acid
CID 98557571
(1R,4R,5R,6R,9E,13S,14S)-tricyclo[11.1.0.04,6]tetradec-9-ene-5,14-dicarboxylic acid
CID 51412344
(1S,4R,6R,9S)-10,10-dichlorotricyclo[7.1.0.04,6]decane-5-carboxylic acid
CID 51665068
(1R,4R,6S,9S)-10,10-dichlorotricyclo[7.1.0.04,6]decane-5-carboxylic acid
CID 99950433
(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid
CID 89147518
4-azabicyclo[5.1.0]octane-8-carboxylic acid
CID 82416387
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,2,4-tricarboxylic acid
CID 57215846
(1S,6R,7S)-2-aminobicyclo[4.1.0]heptane-7-carboxylic acid
CID 84650187
bicyclo[3.2.1]octane-8-carboxylic acid
CID 69144548
(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid
CID 5337761

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid?
The IUPAC name of (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid (CID 131113488) is (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid.
What is the SMILES notation for (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid?
The canonical SMILES for (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid is O=C(O)C1[C@H]2CC[C@@H]1[C@H]1CCC[C@H]12.
What is the InChIKey of (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid?
The InChIKey is YCOCZWBKIBDFRV-ZGHGJDBCSA-N. The full InChI is InChI=1S/C11H16O2/c12-11(13)10-8-4-5-9(10)7-3-1-2-6(7)8/h6-10H,1-5H2,(H,12,13)/t6-,7+,8+,9-,10?.
What are the key properties of (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid?
(1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid has a molecular weight of 180.25 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-tricyclo[5.2.1.02,6]decane-10-carboxylic acid is sourced from PubChem (CID 131113488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).