CID 162858847

C26H42O2 — CID 162858847

IUPAC—
SMILESC=C1CC2(CCC3(CCC(CCCO)C3)C2)C2OC2(C)CCC2C1CC2(C)C
InChIInChI=1S/C26H42O2/c1-18-14-26(12-11-25(17-26)10-7-19(15-25)6-5-13-27)22-24(4,28-22)9-8-21-20(18)16-23(21,2)3/h19-22,27H,1,5-17H2,2-4H3
InChIKeyYLTJBEGVSKACSO-UHFFFAOYSA-N
MW386.62 g/mol
LogP6.28
Rot. Bonds3

About CID 162858847

CID 162858847 (PubChem CID 162858847) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol.

Molecular Properties

Compound NameCID 162858847
PubChem CID162858847
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Name—
SMILESC=C1CC2(CCC3(CCC(CCCO)C3)C2)C2OC2(C)CCC2C1CC2(C)C
InChIInChI=1S/C26H42O2/c1-18-14-26(12-11-25(17-26)10-7-19(15-25)6-5-13-27)22-24(4,28-22)9-8-21-20(18)16-23(21,2)3/h19-22,27H,1,5-17H2,2-4H3
InChIKeyYLTJBEGVSKACSO-UHFFFAOYSA-N
XLogP6.28
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162858847?
The IUPAC name of CID 162858847 (CID 162858847) is not available.
What is the SMILES notation for CID 162858847?
The canonical SMILES for CID 162858847 is C=C1CC2(CCC3(CCC(CCCO)C3)C2)C2OC2(C)CCC2C1CC2(C)C.
What is the InChIKey of CID 162858847?
The InChIKey is YLTJBEGVSKACSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O2/c1-18-14-26(12-11-25(17-26)10-7-19(15-25)6-5-13-27)22-24(4,28-22)9-8-21-20(18)16-23(21,2)3/h19-22,27H,1,5-17H2,2-4H3.
What are the key properties of CID 162858847?
CID 162858847 has a molecular weight of 386.62 g/mol, XLogP of 6.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162858847 is sourced from PubChem (CID 162858847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).