1,1,1-trimethoxypropan-2-ylcyclohexane

C12H24O3 — CID 118007737

IUPAC1,1,1-trimethoxypropan-2-ylcyclohexane
SMILESCOC(OC)(OC)C(C)C1CCCCC1
InChIInChI=1S/C12H24O3/c1-10(11-8-6-5-7-9-11)12(13-2,14-3)15-4/h10-11H,5-9H2,1-4H3
InChIKeyFILXUEMRZLHWTF-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.80
Rot. Bonds5

About 1,1,1-trimethoxypropan-2-ylcyclohexane

1,1,1-trimethoxypropan-2-ylcyclohexane (PubChem CID 118007737) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1,1,1-trimethoxypropan-2-ylcyclohexane.

Molecular Properties

Compound Name1,1,1-trimethoxypropan-2-ylcyclohexane
PubChem CID118007737
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name1,1,1-trimethoxypropan-2-ylcyclohexane
SMILESCOC(OC)(OC)C(C)C1CCCCC1
InChIInChI=1S/C12H24O3/c1-10(11-8-6-5-7-9-11)12(13-2,14-3)15-4/h10-11H,5-9H2,1-4H3
InChIKeyFILXUEMRZLHWTF-UHFFFAOYSA-N
XLogP2.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-cyclohexyl-1,1-dimethoxypropyl)silane
CID 173326577
(3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane
CID 126735295
1-methoxyethylcyclooctane
CID 58445596
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 89281788
(1S)-1-cyclohexyl-N-[methoxy(methyl)boranyl]ethanamine
CID 134858032
(1,4-dimethoxy-3-methylbutan-2-yl)cyclohexane
CID 142709814
ethane;methane;propan-2-ylcyclohexane
CID 169430642
(3-cycloheptyl-2-hydroxybutan-2-yl)phosphonic acid
CID 130286975
(2-cyclohexyl-1-hydroxy-1-phosphonopropyl)phosphonic acid
CID 135389562

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trimethoxypropan-2-ylcyclohexane?
The IUPAC name of 1,1,1-trimethoxypropan-2-ylcyclohexane (CID 118007737) is 1,1,1-trimethoxypropan-2-ylcyclohexane.
What is the SMILES notation for 1,1,1-trimethoxypropan-2-ylcyclohexane?
The canonical SMILES for 1,1,1-trimethoxypropan-2-ylcyclohexane is COC(OC)(OC)C(C)C1CCCCC1.
What is the InChIKey of 1,1,1-trimethoxypropan-2-ylcyclohexane?
The InChIKey is FILXUEMRZLHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-10(11-8-6-5-7-9-11)12(13-2,14-3)15-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,1,1-trimethoxypropan-2-ylcyclohexane?
1,1,1-trimethoxypropan-2-ylcyclohexane has a molecular weight of 216.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trimethoxypropan-2-ylcyclohexane is sourced from PubChem (CID 118007737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).