ethane;2-propan-2-ylpentanoic acid

C10H22O2 — CID 175540570

IUPACethane;2-propan-2-ylpentanoic acid
SMILESCC.CCCC(C(=O)O)C(C)C
InChIInChI=1S/C8H16O2.C2H6/c1-4-5-7(6(2)3)8(9)10;1-2/h6-7H,4-5H2,1-3H3,(H,9,10);1-2H3
InChIKeyJZMJIFFDMBBIOS-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.17
Rot. Bonds4

About ethane;2-propan-2-ylpentanoic acid

ethane;2-propan-2-ylpentanoic acid (PubChem CID 175540570) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is ethane;2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Nameethane;2-propan-2-ylpentanoic acid
PubChem CID175540570
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Nameethane;2-propan-2-ylpentanoic acid
SMILESCC.CCCC(C(=O)O)C(C)C
InChIInChI=1S/C8H16O2.C2H6/c1-4-5-7(6(2)3)8(9)10;1-2/h6-7H,4-5H2,1-3H3,(H,9,10);1-2H3
InChIKeyJZMJIFFDMBBIOS-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-propylpentanoic acid
CID 54305821
(2R)-pentane-1,1,2-tricarboxylic acid
CID 54153831
(4R)-4-propan-2-ylheptan-3-one
CID 95003187
2-(2-bromo-1-hydroxyethyl)pentanoic acid
CID 87961600
16-methoxycarbonyl-5,9,13,17-tetramethyloctadecane-3,7,11-tricarboxylic acid
CID 175111700
hydroxy(oxo)titanium;2-propan-2-yloctadecanoic acid
CID 87354134
5-ethylsulfonyl-2-propan-2-ylpentanoic acid
CID 65098306
5-amino-2-propan-2-ylpentanoic acid
CID 104681083
(2R)-N-methyl-2-propan-2-ylpentanamide
CID 126694823
(E)-2-propan-2-yloctadec-9-enoic acid
CID 21159543
methane;2-(1-oxo-1-propoxypropan-2-yl)pentanoic acid
CID 160908487
2-(1-ethoxypropan-2-yl)pentanoic acid
CID 172824174

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-ylpentanoic acid?
The IUPAC name of ethane;2-propan-2-ylpentanoic acid (CID 175540570) is ethane;2-propan-2-ylpentanoic acid.
What is the SMILES notation for ethane;2-propan-2-ylpentanoic acid?
The canonical SMILES for ethane;2-propan-2-ylpentanoic acid is CC.CCCC(C(=O)O)C(C)C.
What is the InChIKey of ethane;2-propan-2-ylpentanoic acid?
The InChIKey is JZMJIFFDMBBIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C2H6/c1-4-5-7(6(2)3)8(9)10;1-2/h6-7H,4-5H2,1-3H3,(H,9,10);1-2H3.
What are the key properties of ethane;2-propan-2-ylpentanoic acid?
ethane;2-propan-2-ylpentanoic acid has a molecular weight of 174.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-ylpentanoic acid is sourced from PubChem (CID 175540570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).