3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene

C18H30F4O — CID 144809529

IUPAC3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene
SMILESC=CC(F)(F)C(F)(F)C(=C)C(C)CCC(C)C(C)COC(C)C
InChIInChI=1S/C18H30F4O/c1-8-17(19,20)18(21,22)16(7)14(5)10-9-13(4)15(6)11-23-12(2)3/h8,12-15H,1,7,9-11H2,2-6H3
InChIKeyAAEMFVYDYDFPGW-UHFFFAOYSA-N
MW338.43 g/mol
LogP6.11
Rot. Bonds11

About 3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene

3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene (PubChem CID 144809529) has the molecular formula C18H30F4O and a molecular weight of 338.43 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene
PubChem CID144809529
Molecular FormulaC18H30F4O
Molecular Weight338.43 g/mol
Exact Mass338.22
IUPAC Name3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene
SMILESC=CC(F)(F)C(F)(F)C(=C)C(C)CCC(C)C(C)COC(C)C
InChIInChI=1S/C18H30F4O/c1-8-17(19,20)18(21,22)16(7)14(5)10-9-13(4)15(6)11-23-12(2)3/h8,12-15H,1,7,9-11H2,2-6H3
InChIKeyAAEMFVYDYDFPGW-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene with MolForge

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Related Compounds

Allyl-2-(perfluorohexyl)ethyl ether
CID 129699816
1-(4-Ethenylheptyl)-2,3-difluoro-4-methoxycyclohexane
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5-Ethenyl-1,1-difluoro-1-non-8-en-4-yloxyoctane
CID 122536278
1-(9,9-Difluoronon-8-en-4-yloxy)-5-ethyl-1,1-difluorooctane
CID 122536280
1-(9,9-Difluoronon-8-en-4-yloxy)-5-ethenyl-1,1-difluorooctane
CID 122536282
1-Ethenyl-4-(5-ethenyl-1,1-difluorooctoxy)cyclohexane
CID 122540842
8,9-Difluoro-10-methoxy-3,6,7-trimethylundec-1-ene
CID 123735951
1-[Difluoro(6-methylheptan-3-yloxy)methyl]-4-ethenylcyclohexane
CID 138493531
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-14-(7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluoro-6-prop-2-enyltetradecoxy)-9-prop-2-enyltetradecane
CID 140261724
5,5,6,6,7,7,8,8,9,9,10,10,10-Tridecafluoro-4-[2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-3-prop-2-enylnonoxy)ethyl]dec-1-ene
CID 140261725
1,1,1,2,2,3,3,4,4-Nonafluoro-10-(7,7,8,8,9,9,10,10,10-nonafluoro-6-prop-2-enyldecoxy)-5-prop-2-enyldecane
CID 140261726
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-7-prop-2-enyl-12-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-6-prop-2-enyldodecoxy)dodecane
CID 140261727

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene?
The IUPAC name of 3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene (CID 144809529) is 3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene?
The canonical SMILES for 3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene is C=CC(F)(F)C(F)(F)C(=C)C(C)CCC(C)C(C)COC(C)C.
What is the InChIKey of 3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene?
The InChIKey is AAEMFVYDYDFPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F4O/c1-8-17(19,20)18(21,22)16(7)14(5)10-9-13(4)15(6)11-23-12(2)3/h8,12-15H,1,7,9-11H2,2-6H3.
What are the key properties of 3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene?
3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene has a molecular weight of 338.43 g/mol, XLogP of 6.11, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-6,9,10-trimethyl-5-methylidene-11-propan-2-yloxyundec-1-ene is sourced from PubChem (CID 144809529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).