(8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne

C19H31NO — CID 129126854

IUPAC(8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne
SMILESC#CCC(=CC(C/C(C)=C\CCCCC)N=O)C(C)(C)C
InChIInChI=1S/C19H31NO/c1-7-9-10-11-13-16(3)14-18(20-21)15-17(12-8-2)19(4,5)6/h2,13,15,18H,7,9-12,14H2,1,3-6H3/b16-13-,17-15?
InChIKeyVHNQEXUKNXBKEF-OVIREHMNSA-N
MW289.46 g/mol
LogP6.03
Rot. Bonds9

About (8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne

(8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne (PubChem CID 129126854) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne.

Molecular Properties

Compound Name(8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne
PubChem CID129126854
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne
SMILESC#CCC(=CC(C/C(C)=C\CCCCC)N=O)C(C)(C)C
InChIInChI=1S/C19H31NO/c1-7-9-10-11-13-16(3)14-18(20-21)15-17(12-8-2)19(4,5)6/h2,13,15,18H,7,9-12,14H2,1,3-6H3/b16-13-,17-15?
InChIKeyVHNQEXUKNXBKEF-OVIREHMNSA-N
XLogP6.03
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylhexadec-4-ene
CID 174447790
(E)-3-methylnon-3-ene
CID 5364647
(E)-3-methyl-2-nitrosooct-3-ene
CID 135191859
(Z)-3-methylheptadec-3-ene
CID 159647191
3-methylicos-3-ene
CID 91445266
(Z)-3-methylpentadec-3-ene
CID 14954714
3-methyloctadec-3-ene
CID 91073568
(Z)-4-methyldec-4-en-2-one
CID 15267519
7-methylhenicos-7-ene
CID 173033031
(E)-9-methylnonadec-9-ene
CID 14783585
6-methyldocos-6-ene
CID 629460
(E)-10-methylnonadec-9-ene
CID 5364653

Frequently Asked Questions

What is the IUPAC name of (8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne?
The IUPAC name of (8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne (CID 129126854) is (8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne.
What is the SMILES notation for (8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne?
The canonical SMILES for (8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne is C#CCC(=CC(C/C(C)=C\CCCCC)N=O)C(C)(C)C.
What is the InChIKey of (8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne?
The InChIKey is VHNQEXUKNXBKEF-OVIREHMNSA-N. The full InChI is InChI=1S/C19H31NO/c1-7-9-10-11-13-16(3)14-18(20-21)15-17(12-8-2)19(4,5)6/h2,13,15,18H,7,9-12,14H2,1,3-6H3/b16-13-,17-15?.
What are the key properties of (8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne?
(8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne has a molecular weight of 289.46 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-4-tert-butyl-8-methyl-6-nitrosotetradeca-4,8-dien-1-yne is sourced from PubChem (CID 129126854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).