N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide

C15H23NO — CID 143367135

IUPACN-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide
SMILESC=C/C(C)=C/C=C\C=C\C(C)CCCNC=O
InChIInChI=1S/C15H23NO/c1-4-14(2)9-6-5-7-10-15(3)11-8-12-16-13-17/h4-7,9-10,13,15H,1,8,11-12H2,2-3H3,(H,16,17)/b6-5-,10-7+,14-9+
InChIKeyULMBCEIZNBYLGV-XFDZZESJSA-N
MW233.35 g/mol
LogP3.39
Rot. Bonds9

About N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide

N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide (PubChem CID 143367135) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide.

Molecular Properties

Compound NameN-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide
PubChem CID143367135
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide
SMILESC=C/C(C)=C/C=C\C=C\C(C)CCCNC=O
InChIInChI=1S/C15H23NO/c1-4-14(2)9-6-5-7-10-15(3)11-8-12-16-13-17/h4-7,9-10,13,15H,1,8,11-12H2,2-3H3,(H,16,17)/b6-5-,10-7+,14-9+
InChIKeyULMBCEIZNBYLGV-XFDZZESJSA-N
XLogP3.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 123980269
N-[2-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]formamide
CID 141898540
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-[2-methyl-1-prenylpropyl] formamide
CID 132277315
N-[[5-(1,1-difluoroethyl)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]formamide
CID 162602089
N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide
CID 19888920
N-[(E)-oct-5-enyl]formamide
CID 21391943
N-(3,7-dimethyloct-6-enyl)formamide
CID 86076600
N-(5-methylhept-6-enyl)formamide
CID 87378048
N-[(E)-2-(2-ethylcyclohex-3-en-1-yl)but-2-enyl]formamide
CID 89097630
N-[2-[(2Z)-2-but-3-en-2-ylidenecyclopentyl]propyl]formamide
CID 89215066
N-[(8-methyl-7-bicyclo[4.1.1]octa-2,4-dienyl)methyl]formamide
CID 89379174

Frequently Asked Questions

What is the IUPAC name of N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide?
The IUPAC name of N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide (CID 143367135) is N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide.
What is the SMILES notation for N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide?
The canonical SMILES for N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide is C=C/C(C)=C/C=C\C=C\C(C)CCCNC=O.
What is the InChIKey of N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide?
The InChIKey is ULMBCEIZNBYLGV-XFDZZESJSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-14(2)9-6-5-7-10-15(3)11-8-12-16-13-17/h4-7,9-10,13,15H,1,8,11-12H2,2-3H3,(H,16,17)/b6-5-,10-7+,14-9+.
What are the key properties of N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide?
N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide has a molecular weight of 233.35 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E,7Z,9E)-4,10-dimethyldodeca-5,7,9,11-tetraenyl]formamide is sourced from PubChem (CID 143367135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).