1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene

C15H26O2 — CID 25082946

IUPAC1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene
SMILESCOC(OC)C1CCC=C2C1CCCC2(C)C
InChIInChI=1S/C15H26O2/c1-15(2)10-6-8-11-12(14(16-3)17-4)7-5-9-13(11)15/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyLSFRVUWUHQXBHJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.77
Rot. Bonds3

About 1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene

1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene (PubChem CID 25082946) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene
PubChem CID25082946
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene
SMILESCOC(OC)C1CCC=C2C1CCCC2(C)C
InChIInChI=1S/C15H26O2/c1-15(2)10-6-8-11-12(14(16-3)17-4)7-5-9-13(11)15/h9,11-12,14H,5-8,10H2,1-4H3
InChIKeyLSFRVUWUHQXBHJ-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene?
The IUPAC name of 1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene (CID 25082946) is 1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene.
What is the SMILES notation for 1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene?
The canonical SMILES for 1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene is COC(OC)C1CCC=C2C1CCCC2(C)C.
What is the InChIKey of 1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene?
The InChIKey is LSFRVUWUHQXBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-15(2)10-6-8-11-12(14(16-3)17-4)7-5-9-13(11)15/h9,11-12,14H,5-8,10H2,1-4H3.
What are the key properties of 1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene?
1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene has a molecular weight of 238.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene is sourced from PubChem (CID 25082946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).