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

C15H26O2 — CID 25082944

IUPAC2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene
SMILESCOC(OC)C1CC=C2C(CCCC2(C)C)C1
InChIInChI=1S/C15H26O2/c1-15(2)9-5-6-11-10-12(7-8-13(11)15)14(16-3)17-4/h8,11-12,14H,5-7,9-10H2,1-4H3
InChIKeyNGYZYRXYCMYEAN-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.77
Rot. Bonds3

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

2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene (PubChem CID 25082944) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene.

Molecular Properties

Compound Name2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene
PubChem CID25082944
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene
SMILESCOC(OC)C1CC=C2C(CCCC2(C)C)C1
InChIInChI=1S/C15H26O2/c1-15(2)9-5-6-11-10-12(7-8-13(11)15)14(16-3)17-4/h8,11-12,14H,5-7,9-10H2,1-4H3
InChIKeyNGYZYRXYCMYEAN-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 2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene?
The IUPAC name of 2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene (CID 25082944) is 2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene.
What is the SMILES notation for 2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene?
The canonical SMILES for 2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene is COC(OC)C1CC=C2C(CCCC2(C)C)C1.
What is the InChIKey of 2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene?
The InChIKey is NGYZYRXYCMYEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-15(2)9-5-6-11-10-12(7-8-13(11)15)14(16-3)17-4/h8,11-12,14H,5-7,9-10H2,1-4H3.
What are the key properties of 2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene?
2-(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 2-(dimethoxymethyl)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene is sourced from PubChem (CID 25082944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).