6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol

C16H23F3O — CID 123896089

IUPAC6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol
SMILESC=CC=CC(=CC)C(O)(CC(=C)CC)C(C)(F)C(F)F
InChIInChI=1S/C16H23F3O/c1-6-9-10-13(8-3)16(20,11-12(4)7-2)15(5,19)14(17)18/h6,8-10,14,20H,1,4,7,11H2,2-3,5H3
InChIKeyMPTVEGUINVVFKT-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.76
Rot. Bonds8

About 6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol

6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol (PubChem CID 123896089) has the molecular formula C16H23F3O and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol.

Molecular Properties

Compound Name6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol
PubChem CID123896089
Molecular FormulaC16H23F3O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol
SMILESC=CC=CC(=CC)C(O)(CC(=C)CC)C(C)(F)C(F)F
InChIInChI=1S/C16H23F3O/c1-6-9-10-13(8-3)16(20,11-12(4)7-2)15(5,19)14(17)18/h6,8-10,14,20H,1,4,7,11H2,2-3,5H3
InChIKeyMPTVEGUINVVFKT-UHFFFAOYSA-N
XLogP4.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol with MolForge

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Launch Full Analysis

Related Compounds

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(1R,4aR,8aS)-1-allyl-8,8-difluoro-2,5-dimethyl-1,4,4a,7,8,8a-hexahydronaphthalen-1-ol
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CID 67945072
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CID 68384493
4-Fluoro-1-(2-methylpentan-2-yl)cyclohexa-2,4-dien-1-ol
CID 68794150
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CID 89062357
1,1,1,3,3,3-Hexafluoro-2-[4-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]propan-2-ol
CID 90869162
1,1,1,3-Tetrafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]butan-2-ol
CID 123183717
1,1,1-Trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol
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6-Ethyl-3-ethylidene-1,1,1-trifluoro-2-methyl-5-propyldeca-4,6,8-trien-2-ol
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Frequently Asked Questions

What is the IUPAC name of 6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol?
The IUPAC name of 6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol (CID 123896089) is 6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol.
What is the SMILES notation for 6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol?
The canonical SMILES for 6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol is C=CC=CC(=CC)C(O)(CC(=C)CC)C(C)(F)C(F)F.
What is the InChIKey of 6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol?
The InChIKey is MPTVEGUINVVFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O/c1-6-9-10-13(8-3)16(20,11-12(4)7-2)15(5,19)14(17)18/h6,8-10,14,20H,1,4,7,11H2,2-3,5H3.
What are the key properties of 6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol?
6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol has a molecular weight of 288.35 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol is sourced from PubChem (CID 123896089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).