(3R,4R)-3-methoxy-2,2,4-trimethylhexane

C10H22O — CID 177079402

IUPAC(3R,4R)-3-methoxy-2,2,4-trimethylhexane
SMILESCC[C@@H](C)[C@@H](OC)C(C)(C)C
InChIInChI=1S/C10H22O/c1-7-8(2)9(11-6)10(3,4)5/h8-9H,7H2,1-6H3/t8-,9-/m1/s1
InChIKeyDPIILXLCDISNGD-RKDXNWHRSA-N
MW158.28 g/mol
LogP3.09
Rot. Bonds3

About (3R,4R)-3-methoxy-2,2,4-trimethylhexane

(3R,4R)-3-methoxy-2,2,4-trimethylhexane (PubChem CID 177079402) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (3R,4R)-3-methoxy-2,2,4-trimethylhexane.

Molecular Properties

Compound Name(3R,4R)-3-methoxy-2,2,4-trimethylhexane
PubChem CID177079402
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(3R,4R)-3-methoxy-2,2,4-trimethylhexane
SMILESCC[C@@H](C)[C@@H](OC)C(C)(C)C
InChIInChI=1S/C10H22O/c1-7-8(2)9(11-6)10(3,4)5/h8-9H,7H2,1-6H3/t8-,9-/m1/s1
InChIKeyDPIILXLCDISNGD-RKDXNWHRSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-4-methoxy-5,5-dimethylhexan-3-amine
CID 104932286
4-methoxy-2,5,5-trimethylhexan-3-ol
CID 116713037
(3-methoxy-2,2,6-trimethylheptan-4-yl)hydrazine
CID 105273294
1,5-dimethoxy-3,6,6-trimethylheptan-4-ol
CID 116713153
3-ethoxy-2,2,5-trimethylheptan-4-amine
CID 116725356
(3-methoxy-4,4-dimethyl-1-propan-2-yloxypentan-2-yl)hydrazine
CID 105273581
2,2,3,4,5-pentamethylheptane
CID 53428630
3-methoxy-2,2-dimethyloctan-4-amine
CID 116724229
2-[2-(2,2,4-trimethylhexan-3-yloxy)propoxy]propan-1-ol
CID 142712602
1,3-dimethoxy-4,4-dimethylpentan-2-ol
CID 116713162
N-ethyl-4-methoxy-5,5-dimethylhex-1-yn-3-amine
CID 116724777
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methoxy-2,2,4-trimethylhexane?
The IUPAC name of (3R,4R)-3-methoxy-2,2,4-trimethylhexane (CID 177079402) is (3R,4R)-3-methoxy-2,2,4-trimethylhexane.
What is the SMILES notation for (3R,4R)-3-methoxy-2,2,4-trimethylhexane?
The canonical SMILES for (3R,4R)-3-methoxy-2,2,4-trimethylhexane is CC[C@@H](C)[C@@H](OC)C(C)(C)C.
What is the InChIKey of (3R,4R)-3-methoxy-2,2,4-trimethylhexane?
The InChIKey is DPIILXLCDISNGD-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H22O/c1-7-8(2)9(11-6)10(3,4)5/h8-9H,7H2,1-6H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-3-methoxy-2,2,4-trimethylhexane?
(3R,4R)-3-methoxy-2,2,4-trimethylhexane has a molecular weight of 158.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methoxy-2,2,4-trimethylhexane is sourced from PubChem (CID 177079402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).