(8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene

C12H18O — CID 54155012

IUPAC(8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene
SMILESCOC1=CC2=CCCC[C@@]2(C)CC1
InChIInChI=1S/C12H18O/c1-12-7-4-3-5-10(12)9-11(13-2)6-8-12/h5,9H,3-4,6-8H2,1-2H3/t12-/m0/s1
InChIKeyOKKPPEJFQXQLCI-LBPRGKRZSA-N
MW178.28 g/mol
LogP3.43
Rot. Bonds1

About (8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene

(8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene (PubChem CID 54155012) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is (8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name(8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene
PubChem CID54155012
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name(8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene
SMILESCOC1=CC2=CCCC[C@@]2(C)CC1
InChIInChI=1S/C12H18O/c1-12-7-4-3-5-10(12)9-11(13-2)6-8-12/h5,9H,3-4,6-8H2,1-2H3/t12-/m0/s1
InChIKeyOKKPPEJFQXQLCI-LBPRGKRZSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene?
The IUPAC name of (8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene (CID 54155012) is (8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene.
What is the SMILES notation for (8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene?
The canonical SMILES for (8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene is COC1=CC2=CCCC[C@@]2(C)CC1.
What is the InChIKey of (8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene?
The InChIKey is OKKPPEJFQXQLCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18O/c1-12-7-4-3-5-10(12)9-11(13-2)6-8-12/h5,9H,3-4,6-8H2,1-2H3/t12-/m0/s1.
What are the key properties of (8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene?
(8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene has a molecular weight of 178.28 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-6-methoxy-8a-methyl-2,3,7,8-tetrahydro-1H-naphthalene is sourced from PubChem (CID 54155012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).