CID 10762335

C21H32O6 — CID 10762335

IUPAC—
SMILESC=CCO[C@H]1[C@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C21H32O6/c1-2-13-23-15-14(22)16-18(26-20(24-16)9-5-3-6-10-20)19-17(15)25-21(27-19)11-7-4-8-12-21/h2,14-19,22H,1,3-13H2/t14-,15-,16-,17+,18-,19-/m0/s1
InChIKeyKEBPNIMBCDESEN-KZYORJDKSA-N
MW380.48 g/mol
LogP2.82
Rot. Bonds3

About CID 10762335

CID 10762335 (PubChem CID 10762335) has the molecular formula C21H32O6 and a molecular weight of 380.48 g/mol.

Molecular Properties

Compound NameCID 10762335
PubChem CID10762335
Molecular FormulaC21H32O6
Molecular Weight380.48 g/mol
Exact Mass380.22
IUPAC Name—
SMILESC=CCO[C@H]1[C@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C21H32O6/c1-2-13-23-15-14(22)16-18(26-20(24-16)9-5-3-6-10-20)19-17(15)25-21(27-19)11-7-4-8-12-21/h2,14-19,22H,1,3-13H2/t14-,15-,16-,17+,18-,19-/m0/s1
InChIKeyKEBPNIMBCDESEN-KZYORJDKSA-N
XLogP2.82
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10762335?
The IUPAC name of CID 10762335 (CID 10762335) is not available.
What is the SMILES notation for CID 10762335?
The canonical SMILES for CID 10762335 is C=CCO[C@H]1[C@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21.
What is the InChIKey of CID 10762335?
The InChIKey is KEBPNIMBCDESEN-KZYORJDKSA-N. The full InChI is InChI=1S/C21H32O6/c1-2-13-23-15-14(22)16-18(26-20(24-16)9-5-3-6-10-20)19-17(15)25-21(27-19)11-7-4-8-12-21/h2,14-19,22H,1,3-13H2/t14-,15-,16-,17+,18-,19-/m0/s1.
What are the key properties of CID 10762335?
CID 10762335 has a molecular weight of 380.48 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10762335 is sourced from PubChem (CID 10762335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).