(4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene

C13H20O2 — CID 134980874

IUPAC(4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene
SMILESCOCO[C@H]1CCCC2=CC=CC[C@@]21C
InChIInChI=1S/C13H20O2/c1-13-9-4-3-6-11(13)7-5-8-12(13)15-10-14-2/h3-4,6,12H,5,7-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyFKNNSMPUQPOZQU-STQMWFEESA-N
MW208.30 g/mol
LogP3.05
Rot. Bonds3

About (4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene

(4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene (PubChem CID 134980874) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name(4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene
PubChem CID134980874
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene
SMILESCOCO[C@H]1CCCC2=CC=CC[C@@]21C
InChIInChI=1S/C13H20O2/c1-13-9-4-3-6-11(13)7-5-8-12(13)15-10-14-2/h3-4,6,12H,5,7-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyFKNNSMPUQPOZQU-STQMWFEESA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene?
The IUPAC name of (4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene (CID 134980874) is (4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene.
What is the SMILES notation for (4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene?
The canonical SMILES for (4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene is COCO[C@H]1CCCC2=CC=CC[C@@]21C.
What is the InChIKey of (4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene?
The InChIKey is FKNNSMPUQPOZQU-STQMWFEESA-N. The full InChI is InChI=1S/C13H20O2/c1-13-9-4-3-6-11(13)7-5-8-12(13)15-10-14-2/h3-4,6,12H,5,7-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene?
(4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene has a molecular weight of 208.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4aS)-4-(methoxymethoxy)-4a-methyl-2,3,4,5-tetrahydro-1H-naphthalene is sourced from PubChem (CID 134980874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).