CID 58245624

C8H12O3 — CID 58245624

IUPAC—
SMILES[CH]C(=O)C1(CO)CCOCC1
InChIInChI=1S/C8H12O3/c1-7(10)8(6-9)2-4-11-5-3-8/h1,9H,2-6H2
InChIKeyUWRDSMWKFUXCOJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.06
Rot. Bonds2

About CID 58245624

CID 58245624 (PubChem CID 58245624) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol.

Molecular Properties

Compound NameCID 58245624
PubChem CID58245624
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name—
SMILES[CH]C(=O)C1(CO)CCOCC1
InChIInChI=1S/C8H12O3/c1-7(10)8(6-9)2-4-11-5-3-8/h1,9H,2-6H2
InChIKeyUWRDSMWKFUXCOJ-UHFFFAOYSA-N
XLogP0.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(fluoromethyl)oxane-4-carboxylic acid
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CID 59369539
4-(2-fluoroethyl)oxane-4-carboxylic acid
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[4-(hydroxymethyl)oxan-4-yl]-methylcarbamic acid
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4-(3-carboxypropyl)oxane-4-carboxylic acid
CID 70529226
4-[(1-hydroxycyclopentyl)methyl]oxane-4-carboxylic acid
CID 79425395
4-(fluoromethyl)oxane-4-carboxamide
CID 122714179
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
3-ethyloxolane-3-carboxylic acid
CID 62740785
1,4-dioxane;2-hydroxyacetic acid
CID 66633083
4-(azocan-1-ylmethyl)oxane-4-carboxylic acid
CID 62392737

Frequently Asked Questions

What is the IUPAC name of CID 58245624?
The IUPAC name of CID 58245624 (CID 58245624) is not available.
What is the SMILES notation for CID 58245624?
The canonical SMILES for CID 58245624 is [CH]C(=O)C1(CO)CCOCC1.
What is the InChIKey of CID 58245624?
The InChIKey is UWRDSMWKFUXCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-7(10)8(6-9)2-4-11-5-3-8/h1,9H,2-6H2.
What are the key properties of CID 58245624?
CID 58245624 has a molecular weight of 156.18 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58245624 is sourced from PubChem (CID 58245624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).