2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane

C26H34O — CID 16726765

IUPAC2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane
SMILESCC1(C23CC4C5CC67CC8C[C@@H]9C%10CC(C2)([C@@H]([C@H]96)[C@H]5C3)[C@@H]4[C@H]7[C@H]%10C8)CCO1
InChIInChI=1S/C26H34O/c1-23(2-3-27-23)24-7-17-16-9-25-6-12-4-13-15-10-26(11-24,21(17)19(13)25)22(18(16)8-24)20(25)14(15)5-12/h12-22H,2-11H2,1H3/t12?,13-,14+,15?,16?,17+,18?,19+,20-,21-,22+,23?,24?,25?,26?/m1/s1
InChIKeyWNQSRLAEMFFEJM-COVYHOMZSA-N
MW362.56 g/mol
LogP5.15
Rot. Bonds1

About 2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane

2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane (PubChem CID 16726765) has the molecular formula C26H34O and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane.

Molecular Properties

Compound Name2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane
PubChem CID16726765
Molecular FormulaC26H34O
Molecular Weight362.56 g/mol
Exact Mass362.26
IUPAC Name2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane
SMILESCC1(C23CC4C5CC67CC8C[C@@H]9C%10CC(C2)([C@@H]([C@H]96)[C@H]5C3)[C@@H]4[C@H]7[C@H]%10C8)CCO1
InChIInChI=1S/C26H34O/c1-23(2-3-27-23)24-7-17-16-9-25-6-12-4-13-15-10-26(11-24,21(17)19(13)25)22(18(16)8-24)20(25)14(15)5-12/h12-22H,2-11H2,1H3/t12?,13-,14+,15?,16?,17+,18?,19+,20-,21-,22+,23?,24?,25?,26?/m1/s1
InChIKeyWNQSRLAEMFFEJM-COVYHOMZSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane with MolForge

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Related Compounds

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(3aS,6aS)-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan
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13-ethynyl-2-methylnonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane
CID 59689304
6,13-diethynyl-2,12-dimethylnonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane;4,9-diethynylheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane;9-ethynylheptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane;6-ethynylnonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosane
CID 159090521
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane?
The IUPAC name of 2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane (CID 16726765) is 2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane.
What is the SMILES notation for 2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane?
The canonical SMILES for 2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane is CC1(C23CC4C5CC67CC8C[C@@H]9C%10CC(C2)([C@@H]([C@H]96)[C@H]5C3)[C@@H]4[C@H]7[C@H]%10C8)CCO1.
What is the InChIKey of 2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane?
The InChIKey is WNQSRLAEMFFEJM-COVYHOMZSA-N. The full InChI is InChI=1S/C26H34O/c1-23(2-3-27-23)24-7-17-16-9-25-6-12-4-13-15-10-26(11-24,21(17)19(13)25)22(18(16)8-24)20(25)14(15)5-12/h12-22H,2-11H2,1H3/t12?,13-,14+,15?,16?,17+,18?,19+,20-,21-,22+,23?,24?,25?,26?/m1/s1.
What are the key properties of 2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane?
2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane has a molecular weight of 362.56 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2S,3R,4S,11R,15S,16R,17S,18R)-6-nonacyclo[11.7.1.16,18.01,16.02,11.03,8.04,19.08,17.010,15]docosanyl]oxetane is sourced from PubChem (CID 16726765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).