(1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid

C15H22O3 — CID 46938448

IUPAC(1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid
SMILESC=C1CC[C@H]2[C@@H](/C=C(\C(=O)O)CC[C@@H]1O)C2(C)C
InChIInChI=1S/C15H22O3/c1-9-4-6-11-12(15(11,2)3)8-10(14(17)18)5-7-13(9)16/h8,11-13,16H,1,4-7H2,2-3H3,(H,17,18)/b10-8-/t11-,12+,13-/m0/s1
InChIKeyUFUCTYSVQPEEFA-ZTUIHPJCSA-N
MW250.34 g/mol
LogP2.76
Rot. Bonds1

About (1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid

(1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid (PubChem CID 46938448) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name(1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid
PubChem CID46938448
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid
SMILESC=C1CC[C@H]2[C@@H](/C=C(\C(=O)O)CC[C@@H]1O)C2(C)C
InChIInChI=1S/C15H22O3/c1-9-4-6-11-12(15(11,2)3)8-10(14(17)18)5-7-13(9)16/h8,11-13,16H,1,4-7H2,2-3H3,(H,17,18)/b10-8-/t11-,12+,13-/m0/s1
InChIKeyUFUCTYSVQPEEFA-ZTUIHPJCSA-N
XLogP2.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid?
The IUPAC name of (1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid (CID 46938448) is (1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid.
What is the SMILES notation for (1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid?
The canonical SMILES for (1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid is C=C1CC[C@H]2[C@@H](/C=C(\C(=O)O)CC[C@@H]1O)C2(C)C.
What is the InChIKey of (1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid?
The InChIKey is UFUCTYSVQPEEFA-ZTUIHPJCSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-4-6-11-12(15(11,2)3)8-10(14(17)18)5-7-13(9)16/h8,11-13,16H,1,4-7H2,2-3H3,(H,17,18)/b10-8-/t11-,12+,13-/m0/s1.
What are the key properties of (1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid?
(1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2Z,6S,10S)-6-hydroxy-11,11-dimethyl-7-methylidenebicyclo[8.1.0]undec-2-ene-3-carboxylic acid is sourced from PubChem (CID 46938448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).