CID 58165861

C16H26O2 — CID 58165861

IUPAC—
SMILES[CH]OC(C#CCC(CC(C)C)O[CH])CCCCC
InChIInChI=1S/C16H26O2/c1-6-7-8-10-15(17-4)11-9-12-16(18-5)13-14(2)3/h4-5,14-16H,6-8,10,12-13H2,1-3H3
InChIKeyBVCYZLGZYGLCHR-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.11
Rot. Bonds9

About CID 58165861

CID 58165861 (PubChem CID 58165861) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol.

Molecular Properties

Compound NameCID 58165861
PubChem CID58165861
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name—
SMILES[CH]OC(C#CCC(CC(C)C)O[CH])CCCCC
InChIInChI=1S/C16H26O2/c1-6-7-8-10-15(17-4)11-9-12-16(18-5)13-14(2)3/h4-5,14-16H,6-8,10,12-13H2,1-3H3
InChIKeyBVCYZLGZYGLCHR-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58165861?
The IUPAC name of CID 58165861 (CID 58165861) is not available.
What is the SMILES notation for CID 58165861?
The canonical SMILES for CID 58165861 is [CH]OC(C#CCC(CC(C)C)O[CH])CCCCC.
What is the InChIKey of CID 58165861?
The InChIKey is BVCYZLGZYGLCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-6-7-8-10-15(17-4)11-9-12-16(18-5)13-14(2)3/h4-5,14-16H,6-8,10,12-13H2,1-3H3.
What are the key properties of CID 58165861?
CID 58165861 has a molecular weight of 250.38 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58165861 is sourced from PubChem (CID 58165861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).