N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine

C18H19NO3 — CID 51526205

IUPACN-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine
SMILESCC(C)(C)c1coc2cc3oc(=NO)c4c(c3cc12)CCC4
InChIInChI=1S/C18H19NO3/c1-18(2,3)14-9-21-15-8-16-12(7-13(14)15)10-5-4-6-11(10)17(19-20)22-16/h7-9,20H,4-6H2,1-3H3
InChIKeyKMKVSUIYHCNBFU-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.26
Rot. Bonds

About N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine

N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine (PubChem CID 51526205) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine
PubChem CID51526205
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine
SMILESCC(C)(C)c1coc2cc3oc(=NO)c4c(c3cc12)CCC4
InChIInChI=1S/C18H19NO3/c1-18(2,3)14-9-21-15-8-16-12(7-13(14)15)10-5-4-6-11(10)17(19-20)22-16/h7-9,20H,4-6H2,1-3H3
InChIKeyKMKVSUIYHCNBFU-UHFFFAOYSA-N
XLogP4.26
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine?
The IUPAC name of N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine (CID 51526205) is N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine.
What is the SMILES notation for N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine?
The canonical SMILES for N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine is CC(C)(C)c1coc2cc3oc(=NO)c4c(c3cc12)CCC4.
What is the InChIKey of N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine?
The InChIKey is KMKVSUIYHCNBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-18(2,3)14-9-21-15-8-16-12(7-13(14)15)10-5-4-6-11(10)17(19-20)22-16/h7-9,20H,4-6H2,1-3H3.
What are the key properties of N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine?
N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine has a molecular weight of 297.35 g/mol, XLogP of 4.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(14-tert-butyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-ylidene)hydroxylamine is sourced from PubChem (CID 51526205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).