(3R,4R)-3-methoxy-2,4,6-trimethylheptane

C11H24O — CID 639326

IUPAC(3R,4R)-3-methoxy-2,4,6-trimethylheptane
SMILESCO[C@H](C(C)C)[C@H](C)CC(C)C
InChIInChI=1S/C11H24O/c1-8(2)7-10(5)11(12-6)9(3)4/h8-11H,7H2,1-6H3/t10-,11-/m1/s1
InChIKeyBCRUINZPXJCFOO-GHMZBOCLSA-N
MW172.31 g/mol
LogP3.34
Rot. Bonds5

About (3R,4R)-3-methoxy-2,4,6-trimethylheptane

(3R,4R)-3-methoxy-2,4,6-trimethylheptane (PubChem CID 639326) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is (3R,4R)-3-methoxy-2,4,6-trimethylheptane.

Molecular Properties

Compound Name(3R,4R)-3-methoxy-2,4,6-trimethylheptane
PubChem CID639326
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name(3R,4R)-3-methoxy-2,4,6-trimethylheptane
SMILESCO[C@H](C(C)C)[C@H](C)CC(C)C
InChIInChI=1S/C11H24O/c1-8(2)7-10(5)11(12-6)9(3)4/h8-11H,7H2,1-6H3/t10-,11-/m1/s1
InChIKeyBCRUINZPXJCFOO-GHMZBOCLSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dimethyl-3-heptanol
CID 140545
1-Methoxy-4-methylcyclohexane
CID 6336264
2-Ethyl-1-hexanol, methyl ether
CID 14795002
6-Methyl-2-heptanol, methyl ether
CID 22151529
1,2-Epoxy-8-methyldecane
CID 86091626
3-Methoxy-4-methylheptane
CID 89207464
2,4,6-Trimethyltetrahydropyrane
CID 13776990
2,6-Dimethyl-4-ethyltetrahydropyrane
CID 22965776
Isoamylather
CID 57176283
1,6-Dimethoxy-3,7-dimethyloctane
CID 135017434
1-Methoxy-4-methyl-d3-benzene
CID 139701
3-[(1-Methylethoxy)methyl]heptane
CID 3023970

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methoxy-2,4,6-trimethylheptane?
The IUPAC name of (3R,4R)-3-methoxy-2,4,6-trimethylheptane (CID 639326) is (3R,4R)-3-methoxy-2,4,6-trimethylheptane.
What is the SMILES notation for (3R,4R)-3-methoxy-2,4,6-trimethylheptane?
The canonical SMILES for (3R,4R)-3-methoxy-2,4,6-trimethylheptane is CO[C@H](C(C)C)[C@H](C)CC(C)C.
What is the InChIKey of (3R,4R)-3-methoxy-2,4,6-trimethylheptane?
The InChIKey is BCRUINZPXJCFOO-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H24O/c1-8(2)7-10(5)11(12-6)9(3)4/h8-11H,7H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-3-methoxy-2,4,6-trimethylheptane?
(3R,4R)-3-methoxy-2,4,6-trimethylheptane has a molecular weight of 172.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methoxy-2,4,6-trimethylheptane is sourced from PubChem (CID 639326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).