(4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one

C15H20O2 — CID 10489753

IUPAC(4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
SMILESCOC1=C[C@]2(C)CCC(C(C)C)=CC2=CC1=O
InChIInChI=1S/C15H20O2/c1-10(2)11-5-6-15(3)9-14(17-4)13(16)8-12(15)7-11/h7-10H,5-6H2,1-4H3/t15-/m0/s1
InChIKeyCSLOJDYGJYLHDO-HNNXBMFYSA-N
MW232.32 g/mol
LogP3.41
Rot. Bonds2

About (4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one

(4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one (PubChem CID 10489753) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one.

Molecular Properties

Compound Name(4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
PubChem CID10489753
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
SMILESCOC1=C[C@]2(C)CCC(C(C)C)=CC2=CC1=O
InChIInChI=1S/C15H20O2/c1-10(2)11-5-6-15(3)9-14(17-4)13(16)8-12(15)7-11/h7-10H,5-6H2,1-4H3/t15-/m0/s1
InChIKeyCSLOJDYGJYLHDO-HNNXBMFYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Argentone
CID 10824338
(8aS)-7-methoxy-8a-methyl-3-propan-2-yl-1H-naphthalene-2,6-dione
CID 10610431
(8aS)-7-methoxy-5,8a-dimethyl-3-propan-2-yl-1H-naphthalene-2,6-dione
CID 10706468
(1R,8aR)-7-methoxy-1,8a-dimethyl-1H-naphthalene-2,6-dione
CID 127028248
(1S,8aR)-7-methoxy-1,8a-dimethyl-1H-naphthalene-2,6-dione
CID 127028249
(4aS,5S)-3-methoxy-4a,5-dimethyl-5,6-dihydronaphthalen-2-one
CID 127028247
(4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 10878313
7-isopropyl-3-methoxy-4a-methyl-5,6,7,8-tetrahydro-2(4aH)-naphthalenone
CID 7123276
2,6-Ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 22899867
2-[(2,6,6-Trimethylcyclohexen-1-yl)methylidene]oxetan-3-one
CID 54401263
3-Methoxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
CID 85280557
2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-3,6-dioxocyclohexa-1,4-dien-1-olate
CID 140847845

Frequently Asked Questions

What is the IUPAC name of (4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one?
The IUPAC name of (4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one (CID 10489753) is (4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one.
What is the SMILES notation for (4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one?
The canonical SMILES for (4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one is COC1=C[C@]2(C)CCC(C(C)C)=CC2=CC1=O.
What is the InChIKey of (4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one?
The InChIKey is CSLOJDYGJYLHDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)11-5-6-15(3)9-14(17-4)13(16)8-12(15)7-11/h7-10H,5-6H2,1-4H3/t15-/m0/s1.
What are the key properties of (4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one?
(4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one is sourced from PubChem (CID 10489753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).