(6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one

C10H14O2 — CID 101253735

IUPAC(6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one
SMILESC[C@@H]1CC2=CC(=O)OC[C@]2(C)C1
InChIInChI=1S/C10H14O2/c1-7-3-8-4-9(11)12-6-10(8,2)5-7/h4,7H,3,5-6H2,1-2H3/t7-,10+/m1/s1
InChIKeyUMJROSXMKZVHKQ-XCBNKYQSSA-N
MW166.22 g/mol
LogP1.91
Rot. Bonds

About (6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one

(6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one (PubChem CID 101253735) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one.

Molecular Properties

Compound Name(6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one
PubChem CID101253735
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one
SMILESC[C@@H]1CC2=CC(=O)OC[C@]2(C)C1
InChIInChI=1S/C10H14O2/c1-7-3-8-4-9(11)12-6-10(8,2)5-7/h4,7H,3,5-6H2,1-2H3/t7-,10+/m1/s1
InChIKeyUMJROSXMKZVHKQ-XCBNKYQSSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-Oxodihydrobotry-1(9),4(5)-diendial
CID 11806540
(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
1-Bicyclo[2.2.1]hept-2-enylmethyl prop-2-enoate
CID 19834357
1-Bicyclo[2.2.1]hept-2-enylmethyl 2-methylprop-2-enoate
CID 21844562
cyclopentylmethyl (E)-3-methylhex-2-enoate
CID 66981016
Cyclopentylmethyl 3-methylhex-2-enoate
CID 66981017
4-methyl-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
CID 67802596

Frequently Asked Questions

What is the IUPAC name of (6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one?
The IUPAC name of (6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one (CID 101253735) is (6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one.
What is the SMILES notation for (6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one?
The canonical SMILES for (6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one is C[C@@H]1CC2=CC(=O)OC[C@]2(C)C1.
What is the InChIKey of (6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one?
The InChIKey is UMJROSXMKZVHKQ-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-3-8-4-9(11)12-6-10(8,2)5-7/h4,7H,3,5-6H2,1-2H3/t7-,10+/m1/s1.
What are the key properties of (6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one?
(6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one has a molecular weight of 166.22 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7aR)-6,7a-dimethyl-1,5,6,7-tetrahydrocyclopenta[c]pyran-3-one is sourced from PubChem (CID 101253735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).