(1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene

C13H20O — CID 11095466

IUPAC(1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene
SMILESCOC1=CC2=CCC[C@H](C)[C@@]2(C)CC1
InChIInChI=1S/C13H20O/c1-10-5-4-6-11-9-12(14-3)7-8-13(10,11)2/h6,9-10H,4-5,7-8H2,1-3H3/t10-,13+/m0/s1
InChIKeyNZVRTEWIHHEVRR-GXFFZTMASA-N
MW192.30 g/mol
LogP3.67
Rot. Bonds1

About (1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene

(1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene (PubChem CID 11095466) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name(1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene
PubChem CID11095466
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene
SMILESCOC1=CC2=CCC[C@H](C)[C@@]2(C)CC1
InChIInChI=1S/C13H20O/c1-10-5-4-6-11-9-12(14-3)7-8-13(10,11)2/h6,9-10H,4-5,7-8H2,1-3H3/t10-,13+/m0/s1
InChIKeyNZVRTEWIHHEVRR-GXFFZTMASA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene?
The IUPAC name of (1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene (CID 11095466) is (1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene.
What is the SMILES notation for (1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene?
The canonical SMILES for (1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene is COC1=CC2=CCC[C@H](C)[C@@]2(C)CC1.
What is the InChIKey of (1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene?
The InChIKey is NZVRTEWIHHEVRR-GXFFZTMASA-N. The full InChI is InChI=1S/C13H20O/c1-10-5-4-6-11-9-12(14-3)7-8-13(10,11)2/h6,9-10H,4-5,7-8H2,1-3H3/t10-,13+/m0/s1.
What are the key properties of (1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene?
(1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene has a molecular weight of 192.30 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aR)-6-methoxy-1,8a-dimethyl-2,3,7,8-tetrahydro-1H-naphthalene is sourced from PubChem (CID 11095466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).