CID 58998296

C8H17NO — CID 58998296

IUPAC—
SMILES[CH]C(C)(C)N(C)CCOC
InChIInChI=1S/C8H17NO/c1-8(2,3)9(4)6-7-10-5/h1H,6-7H2,2-5H3
InChIKeyDFSHVEGZHWXOTB-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.05
Rot. Bonds4

About CID 58998296

CID 58998296 (PubChem CID 58998296) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol.

Molecular Properties

Compound NameCID 58998296
PubChem CID58998296
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name—
SMILES[CH]C(C)(C)N(C)CCOC
InChIInChI=1S/C8H17NO/c1-8(2,3)9(4)6-7-10-5/h1H,6-7H2,2-5H3
InChIKeyDFSHVEGZHWXOTB-UHFFFAOYSA-N
XLogP1.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58998296?
The IUPAC name of CID 58998296 (CID 58998296) is not available.
What is the SMILES notation for CID 58998296?
The canonical SMILES for CID 58998296 is [CH]C(C)(C)N(C)CCOC.
What is the InChIKey of CID 58998296?
The InChIKey is DFSHVEGZHWXOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,3)9(4)6-7-10-5/h1H,6-7H2,2-5H3.
What are the key properties of CID 58998296?
CID 58998296 has a molecular weight of 143.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998296 is sourced from PubChem (CID 58998296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).