ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid

C11H24O3 — CID 142967684

IUPACethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
SMILESCC.CCCC[C@H](C)[C@H](O)CC(=O)O
InChIInChI=1S/C9H18O3.C2H6/c1-3-4-5-7(2)8(10)6-9(11)12;1-2/h7-8,10H,3-6H2,1-2H3,(H,11,12);1-2H3/t7-,8+;/m0./s1
InChIKeyRTDJAKOXQCUYHD-KZYPOYLOSA-N
MW204.31 g/mol
LogP2.67
Rot. Bonds6

About ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid

ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid (PubChem CID 142967684) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid.

Molecular Properties

Compound Nameethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
PubChem CID142967684
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Nameethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
SMILESCC.CCCC[C@H](C)[C@H](O)CC(=O)O
InChIInChI=1S/C9H18O3.C2H6/c1-3-4-5-7(2)8(10)6-9(11)12;1-2/h7-8,10H,3-6H2,1-2H3,(H,11,12);1-2H3/t7-,8+;/m0./s1
InChIKeyRTDJAKOXQCUYHD-KZYPOYLOSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
3-hydroxy-4-methylnonanoic acid
CID 118395332
4-hydroxy-3-methyloctanoic acid
CID 19371970
3,4-dihydroxypentadecanoic acid
CID 22348655
1-fluoro-3-methylheptan-2-ol
CID 122599053
3,8,12,13-tetrahydroxy-10,14-dimethyloctadecanoic acid
CID 21335513
N,N-dibutylbutan-1-amine;2-hydroxybutanedioic acid
CID 87903997
4-methyl-3-tridecyloctadecanoic acid
CID 57002695
4-hydroxy-2,3-dimethyloctanoic acid
CID 79414235
4,5-dimethyl-3-(propanoylamino)nonanoic acid
CID 11379869
4-chloro-3-hydroxydecanoic acid
CID 88665984
(3S,4S)-3,4,8-trimethylhexadecanoic acid
CID 118342315

Frequently Asked Questions

What is the IUPAC name of ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid?
The IUPAC name of ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid (CID 142967684) is ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid.
What is the SMILES notation for ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid?
The canonical SMILES for ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid is CC.CCCC[C@H](C)[C@H](O)CC(=O)O.
What is the InChIKey of ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid?
The InChIKey is RTDJAKOXQCUYHD-KZYPOYLOSA-N. The full InChI is InChI=1S/C9H18O3.C2H6/c1-3-4-5-7(2)8(10)6-9(11)12;1-2/h7-8,10H,3-6H2,1-2H3,(H,11,12);1-2H3/t7-,8+;/m0./s1.
What are the key properties of ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid?
ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid has a molecular weight of 204.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid is sourced from PubChem (CID 142967684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).