CID 10915536

C21H34O5 — CID 10915536

IUPAC—
SMILESCOC(C)(C)[C@@H]1OC2(CC[C@H]3C4(CC4)C(=O)C[C@]32C)O[C@H]1C(C)(C)OC
InChIInChI=1S/C21H34O5/c1-17(2,23-6)15-16(18(3,4)24-7)26-21(25-15)9-8-13-19(21,5)12-14(22)20(13)10-11-20/h13,15-16H,8-12H2,1-7H3/t13-,15-,16-,19-/m1/s1
InChIKeyMHJYMAQNCARAFI-NVQRDWNXSA-N
MW366.50 g/mol
LogP3.49
Rot. Bonds4

About CID 10915536

CID 10915536 (PubChem CID 10915536) has the molecular formula C21H34O5 and a molecular weight of 366.50 g/mol.

Molecular Properties

Compound NameCID 10915536
PubChem CID10915536
Molecular FormulaC21H34O5
Molecular Weight366.50 g/mol
Exact Mass366.24
IUPAC Name—
SMILESCOC(C)(C)[C@@H]1OC2(CC[C@H]3C4(CC4)C(=O)C[C@]32C)O[C@H]1C(C)(C)OC
InChIInChI=1S/C21H34O5/c1-17(2,23-6)15-16(18(3,4)24-7)26-21(25-15)9-8-13-19(21,5)12-14(22)20(13)10-11-20/h13,15-16H,8-12H2,1-7H3/t13-,15-,16-,19-/m1/s1
InChIKeyMHJYMAQNCARAFI-NVQRDWNXSA-N
XLogP3.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 10915536?
The IUPAC name of CID 10915536 (CID 10915536) is not available.
What is the SMILES notation for CID 10915536?
The canonical SMILES for CID 10915536 is COC(C)(C)[C@@H]1OC2(CC[C@H]3C4(CC4)C(=O)C[C@]32C)O[C@H]1C(C)(C)OC.
What is the InChIKey of CID 10915536?
The InChIKey is MHJYMAQNCARAFI-NVQRDWNXSA-N. The full InChI is InChI=1S/C21H34O5/c1-17(2,23-6)15-16(18(3,4)24-7)26-21(25-15)9-8-13-19(21,5)12-14(22)20(13)10-11-20/h13,15-16H,8-12H2,1-7H3/t13-,15-,16-,19-/m1/s1.
What are the key properties of CID 10915536?
CID 10915536 has a molecular weight of 366.50 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10915536 is sourced from PubChem (CID 10915536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).