methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

C22H41F3O — CID 143695948

IUPACmethane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC.C=C/C=C(\C=C/C)C(O)C(F)(F)F.CCCCCCCCC(C)CC
InChIInChI=1S/C12H26.C9H11F3O.CH4/c1-4-6-7-8-9-10-11-12(3)5-2;1-3-5-7(6-4-2)8(13)9(10,11)12;/h12H,4-11H2,1-3H3;3-6,8,13H,1H2,2H3;1H4/b;6-4-,7-5+;
InChIKeySQQFNCXVACZNRC-HHEXBWDDSA-N
MW378.56 g/mol
LogP8.02
Rot. Bonds11

About methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol

methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (PubChem CID 143695948) has the molecular formula C22H41F3O and a molecular weight of 378.56 g/mol. Its IUPAC name is methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.

Molecular Properties

Compound Namemethane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
PubChem CID143695948
Molecular FormulaC22H41F3O
Molecular Weight378.56 g/mol
Exact Mass378.31
IUPAC Namemethane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
SMILESC.C=C/C=C(\C=C/C)C(O)C(F)(F)F.CCCCCCCCC(C)CC
InChIInChI=1S/C12H26.C9H11F3O.CH4/c1-4-6-7-8-9-10-11-12(3)5-2;1-3-5-7(6-4-2)8(13)9(10,11)12;/h12H,4-11H2,1-3H3;3-6,8,13H,1H2,2H3;1H4/b;6-4-,7-5+;
InChIKeySQQFNCXVACZNRC-HHEXBWDDSA-N
XLogP8.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 161019087
(3R)-3-methyloctadecane
CID 98094048
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
3-methyldodecane
CID 28469
(3R)-3-methyltetracosane
CID 162842417
3,17-dimethylheptatriacontane
CID 6431061
3,13-dimethyltritriacontane
CID 6431058
3,13,19-trimethylheptatriacontane
CID 172565400
3,17-dimethylhentriacontane
CID 6431060
(3R,11S)-3,11-dimethyltricosane
CID 163011810
3,14-dimethylhexacosane
CID 91515224

Frequently Asked Questions

What is the IUPAC name of methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The IUPAC name of methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol (CID 143695948) is methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol.
What is the SMILES notation for methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The canonical SMILES for methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is C.C=C/C=C(\C=C/C)C(O)C(F)(F)F.CCCCCCCCC(C)CC.
What is the InChIKey of methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
The InChIKey is SQQFNCXVACZNRC-HHEXBWDDSA-N. The full InChI is InChI=1S/C12H26.C9H11F3O.CH4/c1-4-6-7-8-9-10-11-12(3)5-2;1-3-5-7(6-4-2)8(13)9(10,11)12;/h12H,4-11H2,1-3H3;3-6,8,13H,1H2,2H3;1H4/b;6-4-,7-5+;.
What are the key properties of methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol?
methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol has a molecular weight of 378.56 g/mol, XLogP of 8.02, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methylundecane;(3E)-1,1,1-trifluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol is sourced from PubChem (CID 143695948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).