(8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one

C16H27NO — CID 138480380

IUPAC(8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one
SMILESC=C(C(=O)CCC(C)CCNC)/C(C)=C\C=C/C
InChIInChI=1S/C16H27NO/c1-6-7-8-14(3)15(4)16(18)10-9-13(2)11-12-17-5/h6-8,13,17H,4,9-12H2,1-3,5H3/b7-6-,14-8-
InChIKeyAPJQEBNPABHGHT-PMAMELDRSA-N
MW249.40 g/mol
LogP3.66
Rot. Bonds9

About (8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one

(8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one (PubChem CID 138480380) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one.

Molecular Properties

Compound Name(8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one
PubChem CID138480380
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one
SMILESC=C(C(=O)CCC(C)CCNC)/C(C)=C\C=C/C
InChIInChI=1S/C16H27NO/c1-6-7-8-14(3)15(4)16(18)10-9-13(2)11-12-17-5/h6-8,13,17H,4,9-12H2,1-3,5H3/b7-6-,14-8-
InChIKeyAPJQEBNPABHGHT-PMAMELDRSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one?
The IUPAC name of (8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one (CID 138480380) is (8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one.
What is the SMILES notation for (8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one?
The canonical SMILES for (8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one is C=C(C(=O)CCC(C)CCNC)/C(C)=C\C=C/C.
What is the InChIKey of (8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one?
The InChIKey is APJQEBNPABHGHT-PMAMELDRSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-7-8-14(3)15(4)16(18)10-9-13(2)11-12-17-5/h6-8,13,17H,4,9-12H2,1-3,5H3/b7-6-,14-8-.
What are the key properties of (8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one?
(8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one has a molecular weight of 249.40 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,10Z)-3,8-dimethyl-1-(methylamino)-7-methylidenedodeca-8,10-dien-6-one is sourced from PubChem (CID 138480380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).