(3S)-3-ethoxy-2-methylheptane

C10H22O — CID 3086090

IUPAC(3S)-3-ethoxy-2-methylheptane
SMILESCCCC[C@H](OCC)C(C)C
InChIInChI=1S/C10H22O/c1-5-7-8-10(9(3)4)11-6-2/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeySHOABYXXWTXNAJ-JTQLQIEISA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds6

About (3S)-3-ethoxy-2-methylheptane

(3S)-3-ethoxy-2-methylheptane (PubChem CID 3086090) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (3S)-3-ethoxy-2-methylheptane.

Molecular Properties

Compound Name(3S)-3-ethoxy-2-methylheptane
PubChem CID3086090
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(3S)-3-ethoxy-2-methylheptane
SMILESCCCC[C@H](OCC)C(C)C
InChIInChI=1S/C10H22O/c1-5-7-8-10(9(3)4)11-6-2/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeySHOABYXXWTXNAJ-JTQLQIEISA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-2-methyldodecane
CID 78302637
bis(3-ethoxyheptan-2-yl) carbonate
CID 87841190
2-(2-methylheptan-3-yloxy)ethyl-tripropylazanium
CID 174884857
2-[2-(2-methylheptan-3-yloxy)ethoxy]ethanol
CID 139910427
5-ethoxynonane
CID 91187482
2-(2-methylnonan-3-yloxy)ethanamine
CID 150049308
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
2-ethoxy-3-methylbutan-1-amine
CID 62445436
2-methylheptan-3-yl hydrogen carbonate
CID 87132104
2-ethoxy-3-methoxynonane
CID 175129428
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
O-(2,3-dimethyloctan-4-yl)hydroxylamine
CID 138567095

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxy-2-methylheptane?
The IUPAC name of (3S)-3-ethoxy-2-methylheptane (CID 3086090) is (3S)-3-ethoxy-2-methylheptane.
What is the SMILES notation for (3S)-3-ethoxy-2-methylheptane?
The canonical SMILES for (3S)-3-ethoxy-2-methylheptane is CCCC[C@H](OCC)C(C)C.
What is the InChIKey of (3S)-3-ethoxy-2-methylheptane?
The InChIKey is SHOABYXXWTXNAJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22O/c1-5-7-8-10(9(3)4)11-6-2/h9-10H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-3-ethoxy-2-methylheptane?
(3S)-3-ethoxy-2-methylheptane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxy-2-methylheptane is sourced from PubChem (CID 3086090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).