(2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol

C18H29F3O3 — CID 91391151

IUPAC(2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol
SMILESCO[C@H]1C=CCCCCC(O)(C(F)(F)F)CCC(C)=C[C@@H](C)C1O
InChIInChI=1S/C18H29F3O3/c1-13-9-11-17(23,18(19,20)21)10-7-5-4-6-8-15(24-3)16(22)14(2)12-13/h6,8,12,14-16,22-23H,4-5,7,9-11H2,1-3H3/t14-,15+,16?,17?/m1/s1
InChIKeyPWEGWKVGXZCGDV-XNIRIUNOSA-N
MW350.42 g/mol
LogP4.15
Rot. Bonds1

About (2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol

(2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol (PubChem CID 91391151) has the molecular formula C18H29F3O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol.

Molecular Properties

Compound Name(2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol
PubChem CID91391151
Molecular FormulaC18H29F3O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC Name(2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol
SMILESCO[C@H]1C=CCCCCC(O)(C(F)(F)F)CCC(C)=C[C@@H](C)C1O
InChIInChI=1S/C18H29F3O3/c1-13-9-11-17(23,18(19,20)21)10-7-5-4-6-8-15(24-3)16(22)14(2)12-13/h6,8,12,14-16,22-23H,4-5,7,9-11H2,1-3H3/t14-,15+,16?,17?/m1/s1
InChIKeyPWEGWKVGXZCGDV-XNIRIUNOSA-N
XLogP4.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol with MolForge

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

Launch Full Analysis

Related Compounds

(1S,2R,3Z,12E,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol
CID 11348675
(1S,2R,3Z,12E)-14-methoxy-2,4-dimethylcyclotetradeca-3,12-diene-1,7-diol
CID 67992687
(1S,2R,14S)-14-methoxy-2,4-dimethylcyclotetradeca-3,12-diene-1,7-diol
CID 90960130
(4E,6S,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one
CID 45100507
(1S,2R,3Z,7R,12E,14S)-7-amino-14-methoxy-2,4-dimethylcyclotetradeca-3,12-dien-1-ol;hydrochloride
CID 71488225
(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
CID 90960920
12,12-difluoro-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-ol
CID 78044101
(5R,6S,7S)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8,12-trien-6-ol
CID 90873235
[(3Z,5R,6S,7S,8E)-7-methoxy-3,5-dimethyl-1-oxacyclotetradeca-3,8-dien-6-yl] acetate
CID 121257118
2-[[7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid
CID 77143389
2-[[(3Z,5R,6S,7S,8E,12Z)-7-methoxy-3,5-dimethyl-12-(trifluoromethyl)-1-oxacyclotetradeca-3,8,12-trien-6-yl]oxy]acetic acid
CID 66563295
(2E,4Z,6S,7S,8S,9E)-6,7-dihydroxy-8-methoxycyclotetradeca-2,4,9-trien-1-one
CID 24859784

Frequently Asked Questions

What is the IUPAC name of (2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol?
The IUPAC name of (2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol (CID 91391151) is (2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol.
What is the SMILES notation for (2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol?
The canonical SMILES for (2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol is CO[C@H]1C=CCCCCC(O)(C(F)(F)F)CCC(C)=C[C@@H](C)C1O.
What is the InChIKey of (2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol?
The InChIKey is PWEGWKVGXZCGDV-XNIRIUNOSA-N. The full InChI is InChI=1S/C18H29F3O3/c1-13-9-11-17(23,18(19,20)21)10-7-5-4-6-8-15(24-3)16(22)14(2)12-13/h6,8,12,14-16,22-23H,4-5,7,9-11H2,1-3H3/t14-,15+,16?,17?/m1/s1.
What are the key properties of (2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol?
(2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol has a molecular weight of 350.42 g/mol, XLogP of 4.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,14S)-14-methoxy-2,4-dimethyl-7-(trifluoromethyl)cyclotetradeca-3,12-diene-1,7-diol is sourced from PubChem (CID 91391151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).