(3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one

C10H16O2 — CID 11182851

IUPAC(3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one
SMILESCC1(C)CC[C@]2(C)OC(=O)C[C@H]12
InChIInChI=1S/C10H16O2/c1-9(2)4-5-10(3)7(9)6-8(11)12-10/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChIKeyXMFVPCTVKXCMSK-XCBNKYQSSA-N
MW168.24 g/mol
LogP2.13
Rot. Bonds

About (3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one

(3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 11182851) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one
PubChem CID11182851
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one
SMILESCC1(C)CC[C@]2(C)OC(=O)C[C@H]12
InChIInChI=1S/C10H16O2/c1-9(2)4-5-10(3)7(9)6-8(11)12-10/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChIKeyXMFVPCTVKXCMSK-XCBNKYQSSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one (CID 11182851) is (3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one is CC1(C)CC[C@]2(C)OC(=O)C[C@H]12.
What is the InChIKey of (3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is XMFVPCTVKXCMSK-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)4-5-10(3)7(9)6-8(11)12-10/h7H,4-6H2,1-3H3/t7-,10+/m1/s1.
What are the key properties of (3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one?
(3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-4,4,6a-trimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 11182851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).