(2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol

C14H23F3O — CID 162418460

IUPAC(2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol
SMILESCC(C)=CCCC(C)CC(/C=C/CO)C(F)(F)F
InChIInChI=1S/C14H23F3O/c1-11(2)6-4-7-12(3)10-13(8-5-9-18)14(15,16)17/h5-6,8,12-13,18H,4,7,9-10H2,1-3H3/b8-5+
InChIKeyBLJOQGQLZWQNQP-VMPITWQZSA-N
MW264.33 g/mol
LogP4.49
Rot. Bonds7

About (2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol

(2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol (PubChem CID 162418460) has the molecular formula C14H23F3O and a molecular weight of 264.33 g/mol. Its IUPAC name is (2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol.

Molecular Properties

Compound Name(2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol
PubChem CID162418460
Molecular FormulaC14H23F3O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name(2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol
SMILESCC(C)=CCCC(C)CC(/C=C/CO)C(F)(F)F
InChIInChI=1S/C14H23F3O/c1-11(2)6-4-7-12(3)10-13(8-5-9-18)14(15,16)17/h5-6,8,12-13,18H,4,7,9-10H2,1-3H3/b8-5+
InChIKeyBLJOQGQLZWQNQP-VMPITWQZSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol?
The IUPAC name of (2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol (CID 162418460) is (2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol.
What is the SMILES notation for (2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol?
The canonical SMILES for (2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol is CC(C)=CCCC(C)CC(/C=C/CO)C(F)(F)F.
What is the InChIKey of (2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol?
The InChIKey is BLJOQGQLZWQNQP-VMPITWQZSA-N. The full InChI is InChI=1S/C14H23F3O/c1-11(2)6-4-7-12(3)10-13(8-5-9-18)14(15,16)17/h5-6,8,12-13,18H,4,7,9-10H2,1-3H3/b8-5+.
What are the key properties of (2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol?
(2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol has a molecular weight of 264.33 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6,10-dimethyl-4-(trifluoromethyl)undeca-2,9-dien-1-ol is sourced from PubChem (CID 162418460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).