(8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one

C11H14O2 — CID 101386650

IUPAC(8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one
SMILESCOC1=CC=C2CCCC[C@@H]2C1=O
InChIInChI=1S/C11H14O2/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h6-7,9H,2-5H2,1H3/t9-/m0/s1
InChIKeyWBSXBMNDMSCTGD-VIFPVBQESA-N
MW178.23 g/mol
LogP2.22
Rot. Bonds1

About (8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one

(8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one (PubChem CID 101386650) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one.

Molecular Properties

Compound Name(8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one
PubChem CID101386650
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one
SMILESCOC1=CC=C2CCCC[C@@H]2C1=O
InChIInChI=1S/C11H14O2/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h6-7,9H,2-5H2,1H3/t9-/m0/s1
InChIKeyWBSXBMNDMSCTGD-VIFPVBQESA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Heptyl-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183878
5-(Cyclohexylmethyl)-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183879
(5R,8S)-2-methoxy-3,8-dimethyl-5-[(2S,4E)-6-methylhepta-4,6-dien-2-yl]-5,6,7,8-tetrahydronaphthalene-1,4-dione
CID 11336418
4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
2-methoxy-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 70003219
6-(difluoromethoxy)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 118609110
6-methoxy-2-(2,2,2-trifluoroethyl)-3,4,4a,5-tetrahydro-2H-naphthalen-1-one
CID 176914894
1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
CID 534313
2-Cyclohexyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 85658429
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one
CID 85991140
(E)-4-cyclohexyl-3-methoxy-4-oxobut-2-enal
CID 102055870
3,4-dihydro-2H-pyran-6-yl-[(5R)-5-prop-1-en-2-ylcyclohexen-1-yl]methanone
CID 135078289

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one?
The IUPAC name of (8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one (CID 101386650) is (8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one.
What is the SMILES notation for (8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one?
The canonical SMILES for (8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one is COC1=CC=C2CCCC[C@@H]2C1=O.
What is the InChIKey of (8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one?
The InChIKey is WBSXBMNDMSCTGD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14O2/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h6-7,9H,2-5H2,1H3/t9-/m0/s1.
What are the key properties of (8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one?
(8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-methoxy-6,7,8,8a-tetrahydro-5H-naphthalen-1-one is sourced from PubChem (CID 101386650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).