ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane

C23H45FN2 — CID 143985839

IUPACethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane
SMILESC/C=C\C=C/C(=C\C)C(C)(C)CC(C)(C)N1CCN(C)CC1.CC.CF
InChIInChI=1S/C20H36N2.C2H6.CH3F/c1-8-10-11-12-18(9-2)19(3,4)17-20(5,6)22-15-13-21(7)14-16-22;2*1-2/h8-12H,13-17H2,1-7H3;1-2H3;1H3/b10-8-,12-11-,18-9+;;
InChIKeyKKCJMMCDVXFWEB-HYWMPISASA-N
MW368.63 g/mol
LogP6.12
Rot. Bonds6

About ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane

ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane (PubChem CID 143985839) has the molecular formula C23H45FN2 and a molecular weight of 368.63 g/mol. Its IUPAC name is ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane.

Molecular Properties

Compound Nameethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane
PubChem CID143985839
Molecular FormulaC23H45FN2
Molecular Weight368.63 g/mol
Exact Mass368.36
IUPAC Nameethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane
SMILESC/C=C\C=C/C(=C\C)C(C)(C)CC(C)(C)N1CCN(C)CC1.CC.CF
InChIInChI=1S/C20H36N2.C2H6.CH3F/c1-8-10-11-12-18(9-2)19(3,4)17-20(5,6)22-15-13-21(7)14-16-22;2*1-2/h8-12H,13-17H2,1-7H3;1-2H3;1H3/b10-8-,12-11-,18-9+;;
InChIKeyKKCJMMCDVXFWEB-HYWMPISASA-N
XLogP6.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane?
The IUPAC name of ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane (CID 143985839) is ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane.
What is the SMILES notation for ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane?
The canonical SMILES for ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane is C/C=C\C=C/C(=C\C)C(C)(C)CC(C)(C)N1CCN(C)CC1.CC.CF.
What is the InChIKey of ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane?
The InChIKey is KKCJMMCDVXFWEB-HYWMPISASA-N. The full InChI is InChI=1S/C20H36N2.C2H6.CH3F/c1-8-10-11-12-18(9-2)19(3,4)17-20(5,6)22-15-13-21(7)14-16-22;2*1-2/h8-12H,13-17H2,1-7H3;1-2H3;1H3/b10-8-,12-11-,18-9+;;.
What are the key properties of ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane?
ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane has a molecular weight of 368.63 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(5E,6Z,8Z)-5-ethylidene-2,4,4-trimethyldeca-6,8-dien-2-yl]-4-methylpiperazine;fluoromethane is sourced from PubChem (CID 143985839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).