3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene

C14H22O2 — CID 149024858

IUPAC3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene
SMILESCOC1=CCC2CC(C)C(C)(OC)CC2=C1
InChIInChI=1S/C14H22O2/c1-10-7-11-5-6-13(15-3)8-12(11)9-14(10,2)16-4/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyQEEREFLJDJRQAQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.30
Rot. Bonds2

About 3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene

3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene (PubChem CID 149024858) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene
PubChem CID149024858
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene
SMILESCOC1=CCC2CC(C)C(C)(OC)CC2=C1
InChIInChI=1S/C14H22O2/c1-10-7-11-5-6-13(15-3)8-12(11)9-14(10,2)16-4/h6,8,10-11H,5,7,9H2,1-4H3
InChIKeyQEEREFLJDJRQAQ-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene?
The IUPAC name of 3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene (CID 149024858) is 3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene.
What is the SMILES notation for 3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene?
The canonical SMILES for 3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene is COC1=CCC2CC(C)C(C)(OC)CC2=C1.
What is the InChIKey of 3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene?
The InChIKey is QEEREFLJDJRQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-7-11-5-6-13(15-3)8-12(11)9-14(10,2)16-4/h6,8,10-11H,5,7,9H2,1-4H3.
What are the key properties of 3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene?
3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene has a molecular weight of 222.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-2,3-dimethyl-2,4,8,8a-tetrahydro-1H-naphthalene is sourced from PubChem (CID 149024858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).