ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol

C18H31F3O — CID 142948502

IUPACethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol
SMILESC/C1=C/CCC/C=C/CCCCC(O)(C(F)(F)F)CC1.CC
InChIInChI=1S/C16H25F3O.C2H6/c1-14-10-8-6-4-2-3-5-7-9-12-15(20,13-11-14)16(17,18)19;1-2/h2-3,10,20H,4-9,11-13H2,1H3;1-2H3/b3-2+,14-10-;
InChIKeyUDVKSLASLCLKFU-QTFMHTCESA-N
MW320.44 g/mol
LogP6.33
Rot. Bonds

About ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol

ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol (PubChem CID 142948502) has the molecular formula C18H31F3O and a molecular weight of 320.44 g/mol. Its IUPAC name is ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol.

Molecular Properties

Compound Nameethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol
PubChem CID142948502
Molecular FormulaC18H31F3O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Nameethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol
SMILESC/C1=C/CCC/C=C/CCCCC(O)(C(F)(F)F)CC1.CC
InChIInChI=1S/C16H25F3O.C2H6/c1-14-10-8-6-4-2-3-5-7-9-12-15(20,13-11-14)16(17,18)19;1-2/h2-3,10,20H,4-9,11-13H2,1H3;1-2H3/b3-2+,14-10-;
InChIKeyUDVKSLASLCLKFU-QTFMHTCESA-N
XLogP6.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 56.33
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 ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol?
The IUPAC name of ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol (CID 142948502) is ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol.
What is the SMILES notation for ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol?
The canonical SMILES for ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol is C/C1=C/CCC/C=C/CCCCC(O)(C(F)(F)F)CC1.CC.
What is the InChIKey of ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol?
The InChIKey is UDVKSLASLCLKFU-QTFMHTCESA-N. The full InChI is InChI=1S/C16H25F3O.C2H6/c1-14-10-8-6-4-2-3-5-7-9-12-15(20,13-11-14)16(17,18)19;1-2/h2-3,10,20H,4-9,11-13H2,1H3;1-2H3/b3-2+,14-10-;.
What are the key properties of ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol?
ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol has a molecular weight of 320.44 g/mol, XLogP of 6.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z,9E)-4-methyl-1-(trifluoromethyl)cyclotetradeca-4,9-dien-1-ol is sourced from PubChem (CID 142948502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).