(1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane

C13H26O2 — CID 142709814

IUPAC(1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane
SMILESCOCC(C)C(COC)C1CCCCC1
InChIInChI=1S/C13H26O2/c1-11(9-14-2)13(10-15-3)12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3
InChIKeyKGFARMBGAKQXMB-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.11
Rot. Bonds6

About (1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane

(1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane (PubChem CID 142709814) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Name(1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane
PubChem CID142709814
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane
SMILESCOCC(C)C(COC)C1CCCCC1
InChIInChI=1S/C13H26O2/c1-11(9-14-2)13(10-15-3)12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3
InChIKeyKGFARMBGAKQXMB-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane
CID 142709893
1-methoxypropan-2-ylcyclopentane
CID 88998786
2-(cycloheptylamino)-4-methoxy-3-methylbutanenitrile
CID 116501957
N-(1-cyclohexyl-2-methoxyethyl)propan-2-amine
CID 83686426
1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
CID 105079501
[1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane
CID 141338727
[1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane
CID 142709832
N-[(1S)-1-cyclopentylethyl]-1-methoxypropan-2-amine
CID 81385867
1-methoxyethylcyclooctane
CID 58445596
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
1-methylperoxypropan-2-ylcyclohexane
CID 58133241
1-cyclohexyl-N-(1-methoxypropan-2-yl)propan-2-amine
CID 165494362

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane?
The IUPAC name of (1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane (CID 142709814) is (1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane.
What is the SMILES notation for (1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane?
The canonical SMILES for (1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane is COCC(C)C(COC)C1CCCCC1.
What is the InChIKey of (1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane?
The InChIKey is KGFARMBGAKQXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-11(9-14-2)13(10-15-3)12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3.
What are the key properties of (1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane?
(1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane has a molecular weight of 214.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane is sourced from PubChem (CID 142709814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).