(7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one

C11H16O2 — CID 46944542

IUPAC(7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one
SMILESCC1(C)CC2=CC(=O)OC[C@]2(C)C1
InChIInChI=1S/C11H16O2/c1-10(2)5-8-4-9(12)13-7-11(8,3)6-10/h4H,5-7H2,1-3H3/t11-/m0/s1
InChIKeyKRYMMUXKYASKFD-NSHDSACASA-N
MW180.25 g/mol
LogP2.30
Rot. Bonds

About (7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one

(7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one (PubChem CID 46944542) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one.

Molecular Properties

Compound Name(7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one
PubChem CID46944542
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one
SMILESCC1(C)CC2=CC(=O)OC[C@]2(C)C1
InChIInChI=1S/C11H16O2/c1-10(2)5-8-4-9(12)13-7-11(8,3)6-10/h4H,5-7H2,1-3H3/t11-/m0/s1
InChIKeyKRYMMUXKYASKFD-NSHDSACASA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one with MolForge

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Related Compounds

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CID 11806540
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CID 69532572
[(5E)-5-ethylidene-2,2-dimethylcyclopentyl] acetate
CID 10035268
methyl (2Z)-2-[(5R)-2-oxaspiro[4.5]dec-6-en-4-ylidene]acetate
CID 11310298
(4S,9S)-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-1(11),8(12)-dien-7-one
CID 101218888
(1R,4S,9R)-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodeca-8(12),10-dien-7-one
CID 164666761
(4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one
CID 10583525
(4aR,7aR)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one
CID 10583526
(7aR)-7a-methyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one
CID 93508361
5,6,7,7a-Tetrahydrocyclopenta[c]pyran-3(1H)-one
CID 11137230
ethyl 2-[(1Z)-3,3-dimethylcyclopentylidene]acetate
CID 15307455
1-Bicyclo[2.2.1]hept-2-enylmethyl 2-methylprop-2-enoate
CID 21844562

Frequently Asked Questions

What is the IUPAC name of (7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one?
The IUPAC name of (7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one (CID 46944542) is (7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one.
What is the SMILES notation for (7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one?
The canonical SMILES for (7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one is CC1(C)CC2=CC(=O)OC[C@]2(C)C1.
What is the InChIKey of (7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one?
The InChIKey is KRYMMUXKYASKFD-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O2/c1-10(2)5-8-4-9(12)13-7-11(8,3)6-10/h4H,5-7H2,1-3H3/t11-/m0/s1.
What are the key properties of (7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one?
(7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one has a molecular weight of 180.25 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6,6,7a-trimethyl-5,7-dihydro-1H-cyclopenta[c]pyran-3-one is sourced from PubChem (CID 46944542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).