2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C13H24O2 — CID 154554041

IUPAC2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCOC(OC)C1CCC2CCCCC2C1
InChIInChI=1S/C13H24O2/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h10-13H,3-9H2,1-2H3
InChIKeyJVPQUBOOUWRWKG-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.21
Rot. Bonds3

About 2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 154554041) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID154554041
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCOC(OC)C1CCC2CCCCC2C1
InChIInChI=1S/C13H24O2/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h10-13H,3-9H2,1-2H3
InChIKeyJVPQUBOOUWRWKG-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-cyclopropyl-N-methylmethanamine
CID 104994252
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethylhydrazine
CID 105282551
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methanol
CID 115840546
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-N-ethylethanamine
CID 115781927
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)butan-1-ol
CID 115780854
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044588
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105044293
2-[chloro-(5-chloro-2-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 104546339
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine
CID 105004863
1-(dimethoxymethyl)-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane
CID 130414729
[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(cyclopentyl)methyl]hydrazine
CID 105282389

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 154554041) is 2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is COC(OC)C1CCC2CCCCC2C1.
What is the InChIKey of 2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is JVPQUBOOUWRWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-14-13(15-2)12-8-7-10-5-3-4-6-11(10)9-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 212.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 154554041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).