O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane

C17H33NO — CID 143947867

IUPACO-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane
SMILESC=CC(C=C)=C(ON)/C(=C\C)C(C)(C)C.CC.CC
InChIInChI=1S/C13H21NO.2C2H6/c1-7-10(8-2)12(15-14)11(9-3)13(4,5)6;2*1-2/h7-9H,1-2,14H2,3-6H3;2*1-2H3/b11-9+;;
InChIKeyMFEOAHNKCSFCRQ-OTBYXNOXSA-N
MW267.46 g/mol
LogP5.55
Rot. Bonds4

About O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane

O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane (PubChem CID 143947867) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane.

Molecular Properties

Compound NameO-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane
PubChem CID143947867
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameO-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane
SMILESC=CC(C=C)=C(ON)/C(=C\C)C(C)(C)C.CC.CC
InChIInChI=1S/C13H21NO.2C2H6/c1-7-10(8-2)12(15-14)11(9-3)13(4,5)6;2*1-2/h7-9H,1-2,14H2,3-6H3;2*1-2H3/b11-9+;;
InChIKeyMFEOAHNKCSFCRQ-OTBYXNOXSA-N
XLogP5.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

O-[(1Z,3Z)-2-tert-butyl-3-ethenylpenta-1,3-dienyl]hydroxylamine
CID 129140973
8-tert-butyl-7-methoxy-6-methyl-5-methylidenedeca-1,3,6,8-tetraene
CID 123743663
(2Z,4Z)-3-tert-butyl-4-propan-2-ylhexa-2,4-diene;methanamine;3-methylbut-1-ene
CID 145400080
2-tert-butylbut-2-enoic acid
CID 54472198
O-[(2Z)-3-methylpenta-2,4-dien-2-yl]hydroxylamine
CID 89307722
ethane;prop-1-ene;2,2,3,3-tetramethylbutane
CID 153390024
ethane;3-ethenyl-4-methylhexa-1,3,5-triene
CID 162531355
[(1Z)-2-tert-butyl-3-methylidenepenta-1,4-dienyl]-methylphosphane
CID 167202874
(Z)-3-tert-butyl-5,6,6-trimethylhept-2-en-4-one
CID 123927287
2-methylpropyl 2-tert-butylbut-2-enoate
CID 174703085
(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene
CID 142110830
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215

Frequently Asked Questions

What is the IUPAC name of O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane?
The IUPAC name of O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane (CID 143947867) is O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane.
What is the SMILES notation for O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane?
The canonical SMILES for O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane is C=CC(C=C)=C(ON)/C(=C\C)C(C)(C)C.CC.CC.
What is the InChIKey of O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane?
The InChIKey is MFEOAHNKCSFCRQ-OTBYXNOXSA-N. The full InChI is InChI=1S/C13H21NO.2C2H6/c1-7-10(8-2)12(15-14)11(9-3)13(4,5)6;2*1-2/h7-9H,1-2,14H2,3-6H3;2*1-2H3/b11-9+;;.
What are the key properties of O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane?
O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane has a molecular weight of 267.46 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(5Z)-5-tert-butyl-3-ethenylhepta-1,3,5-trien-4-yl]hydroxylamine;ethane is sourced from PubChem (CID 143947867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).