CID 5484103

C9H17O2 — CID 5484103

IUPAC—
SMILESCC(CC([O])=O)CC(C)(C)C
InChIInChI=1S/C9H17O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
InChIKeyKQHBCYXHFSBXBX-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.41
Rot. Bonds3

About CID 5484103

CID 5484103 (PubChem CID 5484103) has the molecular formula C9H17O2 and a molecular weight of 157.23 g/mol.

Molecular Properties

Compound NameCID 5484103
PubChem CID5484103
Molecular FormulaC9H17O2
Molecular Weight157.23 g/mol
Exact Mass157.12
IUPAC Name—
SMILESCC(CC([O])=O)CC(C)(C)C
InChIInChI=1S/C9H17O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
InChIKeyKQHBCYXHFSBXBX-UHFFFAOYSA-N
XLogP2.41
TPSA36.97 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 5484103?
The IUPAC name of CID 5484103 (CID 5484103) is not available.
What is the SMILES notation for CID 5484103?
The canonical SMILES for CID 5484103 is CC(CC([O])=O)CC(C)(C)C.
What is the InChIKey of CID 5484103?
The InChIKey is KQHBCYXHFSBXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of CID 5484103?
CID 5484103 has a molecular weight of 157.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5484103 is sourced from PubChem (CID 5484103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).