(4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one

C11H16O2 — CID 10583525

IUPAC(4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one
SMILESCC1(C)C[C@@H]2OC(=O)C=C[C@@]2(C)C1
InChIInChI=1S/C11H16O2/c1-10(2)6-8-11(3,7-10)5-4-9(12)13-8/h4-5,8H,6-7H2,1-3H3/t8-,11-/m0/s1
InChIKeyQPARCKXWHNFFCI-KWQFWETISA-N
MW180.25 g/mol
LogP2.29
Rot. Bonds

About (4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one

(4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one (PubChem CID 10583525) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one.

Molecular Properties

Compound Name(4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one
PubChem CID10583525
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one
SMILESCC1(C)C[C@@H]2OC(=O)C=C[C@@]2(C)C1
InChIInChI=1S/C11H16O2/c1-10(2)6-8-11(3,7-10)5-4-9(12)13-8/h4-5,8H,6-7H2,1-3H3/t8-,11-/m0/s1
InChIKeyQPARCKXWHNFFCI-KWQFWETISA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one with MolForge

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Related Compounds

methyl (1R,6R,7S)-7-cyano-7-methyl-3-oxo-2-oxabicyclo[4.2.0]oct-4-ene-6-carboxylate
CID 10262930
6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyridazine-5-carboxamide
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(3'aR,7'aR)-3'a-methylspiro[1,3-dioxolane-2,6'-4,5,7,7a-tetrahydroindene]-1'-one
CID 15896740
(3aS,3bS,9aR,9bR,11aR)-N-(1-adamantyl)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-2-carboxamide
CID 57166650
(3aS,3bS,9aR,9bR,11aS)-N-(2-adamantyl)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide
CID 57217137
5,5,6,6-tetramethylpyran-2-one
CID 141046909
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide
CID 70253111
5-(cyclopenta-2,4-dien-1-ylidenemethyl)-1,1,3,3-tetramethylcyclohexane
CID 90892008
4-(1,3-dioxolan-2-yl)-4-methylcyclohex-2-en-1-one
CID 14068876
(3aS,4S,7S,7aS)-4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 98070659
4,7-dimethyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
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CID 106664189

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one?
The IUPAC name of (4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one (CID 10583525) is (4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one.
What is the SMILES notation for (4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one?
The canonical SMILES for (4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one is CC1(C)C[C@@H]2OC(=O)C=C[C@@]2(C)C1.
What is the InChIKey of (4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one?
The InChIKey is QPARCKXWHNFFCI-KWQFWETISA-N. The full InChI is InChI=1S/C11H16O2/c1-10(2)6-8-11(3,7-10)5-4-9(12)13-8/h4-5,8H,6-7H2,1-3H3/t8-,11-/m0/s1.
What are the key properties of (4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one?
(4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-4a,6,6-trimethyl-7,7a-dihydro-5H-cyclopenta[b]pyran-2-one is sourced from PubChem (CID 10583525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).