2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid

C15H22O4 — CID 135398012

IUPAC2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
SMILESC=C(C(=O)O)[C@H]1[C@H](O)/C=C(\C)CC/C=C(\C)C[C@H]1O
InChIInChI=1S/C15H22O4/c1-9-5-4-6-10(2)8-13(17)14(12(16)7-9)11(3)15(18)19/h5,8,12-14,16-17H,3-4,6-7H2,1-2H3,(H,18,19)/b9-5+,10-8+/t12-,13-,14-/m1/s1
InChIKeyQSQCRXKRLUTFEL-OURLZOILSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds2

About 2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid

2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid (PubChem CID 135398012) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
PubChem CID135398012
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid
SMILESC=C(C(=O)O)[C@H]1[C@H](O)/C=C(\C)CC/C=C(\C)C[C@H]1O
InChIInChI=1S/C15H22O4/c1-9-5-4-6-10(2)8-13(17)14(12(16)7-9)11(3)15(18)19/h5,8,12-14,16-17H,3-4,6-7H2,1-2H3,(H,18,19)/b9-5+,10-8+/t12-,13-,14-/m1/s1
InChIKeyQSQCRXKRLUTFEL-OURLZOILSA-N
XLogP2.04
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid?
The IUPAC name of 2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid (CID 135398012) is 2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid.
What is the SMILES notation for 2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid?
The canonical SMILES for 2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid is C=C(C(=O)O)[C@H]1[C@H](O)/C=C(\C)CC/C=C(\C)C[C@H]1O.
What is the InChIKey of 2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid?
The InChIKey is QSQCRXKRLUTFEL-OURLZOILSA-N. The full InChI is InChI=1S/C15H22O4/c1-9-5-4-6-10(2)8-13(17)14(12(16)7-9)11(3)15(18)19/h5,8,12-14,16-17H,3-4,6-7H2,1-2H3,(H,18,19)/b9-5+,10-8+/t12-,13-,14-/m1/s1.
What are the key properties of 2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid?
2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3E,7E,10R)-2,10-dihydroxy-4,8-dimethylcyclodeca-3,7-dien-1-yl]prop-2-enoic acid is sourced from PubChem (CID 135398012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).