[1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane

C13H26O3 — CID 141338727

IUPAC[1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane
SMILESCOCC(COC)C(OC)C1CCCCC1
InChIInChI=1S/C13H26O3/c1-14-9-12(10-15-2)13(16-3)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3
InChIKeyQVADKXUXMNYQMA-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.49
Rot. Bonds7

About [1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane

[1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane (PubChem CID 141338727) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is [1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane.

Molecular Properties

Compound Name[1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane
PubChem CID141338727
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name[1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane
SMILESCOCC(COC)C(OC)C1CCCCC1
InChIInChI=1S/C13H26O3/c1-14-9-12(10-15-2)13(16-3)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3
InChIKeyQVADKXUXMNYQMA-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1,3-dimethoxypropan-2-ol
CID 116712579
[1-methoxy-3-(methoxymethyl)pentan-2-yl]cyclopentane
CID 142709893
1-methoxypropan-2-ylcyclopentane
CID 88998786
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
1-cyclohexyl-1-methoxy-4-methylpentan-2-ol
CID 116756323
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
(1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane
CID 142709814
1,2-dicyclohexyl-2-methoxy-N-methylethanamine
CID 116771418
N-(1-cyclohexyl-2-methoxyethyl)propan-2-amine
CID 83686426
(1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one
CID 101013747
1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine
CID 116771723
1-methoxyethylcyclooctane
CID 58445596

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane?
The IUPAC name of [1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane (CID 141338727) is [1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane.
What is the SMILES notation for [1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane?
The canonical SMILES for [1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane is COCC(COC)C(OC)C1CCCCC1.
What is the InChIKey of [1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane?
The InChIKey is QVADKXUXMNYQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-14-9-12(10-15-2)13(16-3)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3.
What are the key properties of [1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane?
[1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane has a molecular weight of 230.35 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane is sourced from PubChem (CID 141338727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).