(7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one

C23H29NO3 — CID 89172706

IUPAC(7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one
SMILESCC12CCC3C4CC/C(=N\O)/C=C4C5CC5C3C1C6CC6[C@@]27CCC(=O)O7
InChIInChI=1S/C23H29NO3/c1-22-6-4-13-12-3-2-11(24-26)8-14(12)15-9-16(15)20(13)21(22)17-10-18(17)23(22)7-5-19(25)27-23/h8,12-13,15-18,20-21,26H,2-7,9-10H2,1H3/b24-11+/t12?,13?,15?,16?,17?,18?,20?,21?,22?,23-/m0/s1
InChIKeyONJVQJVEMAKCPU-YPFMKMBSSA-N
MW367.50 g/mol
LogP3.20
Rot. Bonds

About (7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one

(7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one (PubChem CID 89172706) has the molecular formula C23H29NO3 and a molecular weight of 367.50 g/mol. Its IUPAC name is (7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one.

Molecular Properties

Compound Name(7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one
PubChem CID89172706
Molecular FormulaC23H29NO3
Molecular Weight367.50 g/mol
Exact Mass367.21
IUPAC Name(7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one
SMILESCC12CCC3C4CC/C(=N\O)/C=C4C5CC5C3C1C6CC6[C@@]27CCC(=O)O7
InChIInChI=1S/C23H29NO3/c1-22-6-4-13-12-3-2-11(24-26)8-14(12)15-9-16(15)20(13)21(22)17-10-18(17)23(22)7-5-19(25)27-23/h8,12-13,15-18,20-21,26H,2-7,9-10H2,1H3/b24-11+/t12?,13?,15?,16?,17?,18?,20?,21?,22?,23-/m0/s1
InChIKeyONJVQJVEMAKCPU-YPFMKMBSSA-N
XLogP3.20
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity816

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 (7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one?
The IUPAC name of (7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one (CID 89172706) is (7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one.
What is the SMILES notation for (7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one?
The canonical SMILES for (7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one is CC12CCC3C4CC/C(=N\O)/C=C4C5CC5C3C1C6CC6[C@@]27CCC(=O)O7.
What is the InChIKey of (7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one?
The InChIKey is ONJVQJVEMAKCPU-YPFMKMBSSA-N. The full InChI is InChI=1S/C23H29NO3/c1-22-6-4-13-12-3-2-11(24-26)8-14(12)15-9-16(15)20(13)21(22)17-10-18(17)23(22)7-5-19(25)27-23/h8,12-13,15-18,20-21,26H,2-7,9-10H2,1H3/b24-11+/t12?,13?,15?,16?,17?,18?,20?,21?,22?,23-/m0/s1.
What are the key properties of (7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one?
(7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one has a molecular weight of 367.50 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,15S)-7-hydroxyimino-14-methylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2'-one is sourced from PubChem (CID 89172706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).