CID 59269554

C9H16O2 — CID 59269554

IUPAC—
SMILES[CH]C(C)C1COC(CC)OC1
InChIInChI=1S/C9H16O2/c1-4-9-10-5-8(6-11-9)7(2)3/h2,7-9H,4-6H2,1,3H3
InChIKeyZOUQAQGWRBHCAY-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.73
Rot. Bonds2

About CID 59269554

CID 59269554 (PubChem CID 59269554) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol.

Molecular Properties

Compound NameCID 59269554
PubChem CID59269554
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name—
SMILES[CH]C(C)C1COC(CC)OC1
InChIInChI=1S/C9H16O2/c1-4-9-10-5-8(6-11-9)7(2)3/h2,7-9H,4-6H2,1,3H3
InChIKeyZOUQAQGWRBHCAY-UHFFFAOYSA-N
XLogP1.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4,7-dihydro-1,3-dioxepine
CID 11029866
CID 59269259
CID 59269259
CID 59269649
CID 59269649
2-butyl-5-propan-2-yl-1,3-dioxane
CID 89076519
(2S)-2-ethyl-4-methyl-1,3-dioxolane
CID 59047916
(2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol
CID 70594997
2-(methoxymethyl)-5-propan-2-yl-1,3-dioxane
CID 89076520
(2S,4R,5S)-2-ethyl-4-methyl-1,3-dioxan-5-ol
CID 70592812
CID 59269207
CID 59269207
(2S)-2-ethyl-1,3-dioxolan-4-ol
CID 59048685
(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 55301636
6-ethyl-5,7-dioxaspiro[2.5]octane
CID 163722757

Frequently Asked Questions

What is the IUPAC name of CID 59269554?
The IUPAC name of CID 59269554 (CID 59269554) is not available.
What is the SMILES notation for CID 59269554?
The canonical SMILES for CID 59269554 is [CH]C(C)C1COC(CC)OC1.
What is the InChIKey of CID 59269554?
The InChIKey is ZOUQAQGWRBHCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9-10-5-8(6-11-9)7(2)3/h2,7-9H,4-6H2,1,3H3.
What are the key properties of CID 59269554?
CID 59269554 has a molecular weight of 156.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269554 is sourced from PubChem (CID 59269554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).