(3R)-3-ethyl-2-methylhexane

C9H20 — CID 59954424

IUPAC(3R)-3-ethyl-2-methylhexane
SMILESCCC[C@@H](CC)C(C)C
InChIInChI=1S/C9H20/c1-5-7-9(6-2)8(3)4/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyMVLOWDRGPHBNNF-SECBINFHSA-N
MW128.26 g/mol
LogP3.47
Rot. Bonds4

About (3R)-3-ethyl-2-methylhexane

(3R)-3-ethyl-2-methylhexane (PubChem CID 59954424) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is (3R)-3-ethyl-2-methylhexane.

Molecular Properties

Compound Name(3R)-3-ethyl-2-methylhexane
PubChem CID59954424
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name(3R)-3-ethyl-2-methylhexane
SMILESCCC[C@@H](CC)C(C)C
InChIInChI=1S/C9H20/c1-5-7-9(6-2)8(3)4/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyMVLOWDRGPHBNNF-SECBINFHSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
4,5-diethyloctane
CID 519254
4-ethyl-2-methyl-3-propan-2-ylheptane
CID 57491433
3,4-dimethylhexane;3-ethyl-2-methylhexane;2,3,4-trimethylheptane
CID 153382410
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
4-ethyl-2-methylheptane-3-thiol
CID 123793265
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
3-ethyl-2-methanidylhexane
CID 90757156
2-methyl-4-propan-2-ylheptane
CID 21201044
3,5-diethyl-2-methyloctane
CID 57491216

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-2-methylhexane?
The IUPAC name of (3R)-3-ethyl-2-methylhexane (CID 59954424) is (3R)-3-ethyl-2-methylhexane.
What is the SMILES notation for (3R)-3-ethyl-2-methylhexane?
The canonical SMILES for (3R)-3-ethyl-2-methylhexane is CCC[C@@H](CC)C(C)C.
What is the InChIKey of (3R)-3-ethyl-2-methylhexane?
The InChIKey is MVLOWDRGPHBNNF-SECBINFHSA-N. The full InChI is InChI=1S/C9H20/c1-5-7-9(6-2)8(3)4/h8-9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of (3R)-3-ethyl-2-methylhexane?
(3R)-3-ethyl-2-methylhexane has a molecular weight of 128.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-2-methylhexane is sourced from PubChem (CID 59954424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).