(4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one

C15H22O2 — CID 7123276

IUPAC(4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCOC1=C[C@]2(C)CC[C@@H](C(C)C)CC2=CC1=O
InChIInChI=1S/C15H22O2/c1-10(2)11-5-6-15(3)9-14(17-4)13(16)8-12(15)7-11/h8-11H,5-7H2,1-4H3/t11-,15+/m1/s1
InChIKeyGFTXUDYVKJNWEW-ABAIWWIYSA-N
MW234.34 g/mol
LogP3.49
Rot. Bonds2

About (4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one

(4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one (PubChem CID 7123276) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one.

Molecular Properties

Compound Name(4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one
PubChem CID7123276
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one
SMILESCOC1=C[C@]2(C)CC[C@@H](C(C)C)CC2=CC1=O
InChIInChI=1S/C15H22O2/c1-10(2)11-5-6-15(3)9-14(17-4)13(16)8-12(15)7-11/h8-11H,5-7H2,1-4H3/t11-,15+/m1/s1
InChIKeyGFTXUDYVKJNWEW-ABAIWWIYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.49
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
(4aS)-3-methoxy-4a-methyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
CID 10489753
(8aS)-7-methoxy-5,8a-dimethyl-3-propan-2-yl-1H-naphthalene-2,6-dione
CID 10706468
2-[(E)-[(2S,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ylidene]methyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 10088781
2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-5-methoxycyclohexa-2,5-diene-1,4-dione
CID 14610504
(4aS,5S)-3-methoxy-4a,5-dimethyl-5,6-dihydronaphthalen-2-one
CID 127028247
(4As,5s)-5,6,7,8-tetrahydro-3-hydroxy-4a,5-dimethylnaphthalen-2(4ah)-one
CID 129713913
(4aR,8R)-3-methoxy-4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one
CID 10878313
2-[(E)-[(2S,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ylidene]methyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 21774338
2-[(2,6,6-Trimethylcyclohex-2-en-1-yl)methylidene]oxetan-3-one
CID 53947294
3-Methoxy-1,4a-dimethyl-7-propan-2-yl-5,6-dihydronaphthalen-2-one
CID 85280557

Frequently Asked Questions

What is the IUPAC name of (4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one?
The IUPAC name of (4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one (CID 7123276) is (4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one.
What is the SMILES notation for (4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one?
The canonical SMILES for (4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one is COC1=C[C@]2(C)CC[C@@H](C(C)C)CC2=CC1=O.
What is the InChIKey of (4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one?
The InChIKey is GFTXUDYVKJNWEW-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H22O2/c1-10(2)11-5-6-15(3)9-14(17-4)13(16)8-12(15)7-11/h8-11H,5-7H2,1-4H3/t11-,15+/m1/s1.
What are the key properties of (4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one?
(4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7R)-3-methoxy-4a-methyl-7-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-one is sourced from PubChem (CID 7123276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).