(4R)-3-ethyl-4-methylhexane

C9H20 — CID 59954491

IUPAC(4R)-3-ethyl-4-methylhexane
SMILESCCC(CC)[C@H](C)CC
InChIInChI=1S/C9H20/c1-5-8(4)9(6-2)7-3/h8-9H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyOKCRKWVABWILDR-MRVPVSSYSA-N
MW128.26 g/mol
LogP3.47
Rot. Bonds4

About (4R)-3-ethyl-4-methylhexane

(4R)-3-ethyl-4-methylhexane (PubChem CID 59954491) has the molecular formula C9H20 and a molecular weight of 128.26 g/mol. Its IUPAC name is (4R)-3-ethyl-4-methylhexane.

Molecular Properties

Compound Name(4R)-3-ethyl-4-methylhexane
PubChem CID59954491
Molecular FormulaC9H20
Molecular Weight128.26 g/mol
Exact Mass128.16
IUPAC Name(4R)-3-ethyl-4-methylhexane
SMILESCCC(CC)[C@H](C)CC
InChIInChI=1S/C9H20/c1-5-8(4)9(6-2)7-3/h8-9H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyOKCRKWVABWILDR-MRVPVSSYSA-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-4-methylhexan-1-amine
CID 123538643
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
3-ethyl-1,1,1-trifluoro-4-methylhexane
CID 147184105
3-(bromomethyl)-5-methylheptan-4-ol
CID 173307916
4-ethyl-3-methylundecane
CID 57279647
CID 91437014
CID 91437014
5-ethyl-6-methyloctan-1-ol
CID 89076022
5-ethyl-6-methyloct-1-ene
CID 123326070
CID 174030346
CID 174030346
3-ethyl-N-(3-methylpentan-2-yl)pentan-2-amine
CID 63841917

Frequently Asked Questions

What is the IUPAC name of (4R)-3-ethyl-4-methylhexane?
The IUPAC name of (4R)-3-ethyl-4-methylhexane (CID 59954491) is (4R)-3-ethyl-4-methylhexane.
What is the SMILES notation for (4R)-3-ethyl-4-methylhexane?
The canonical SMILES for (4R)-3-ethyl-4-methylhexane is CCC(CC)[C@H](C)CC.
What is the InChIKey of (4R)-3-ethyl-4-methylhexane?
The InChIKey is OKCRKWVABWILDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20/c1-5-8(4)9(6-2)7-3/h8-9H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of (4R)-3-ethyl-4-methylhexane?
(4R)-3-ethyl-4-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 (4R)-3-ethyl-4-methylhexane is sourced from PubChem (CID 59954491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).