(3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

C8H10O3 — CID 10154155

IUPAC(3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2C=CC(=O)[C@H]2O1
InChIInChI=1S/C8H10O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-4,6-7H,1-2H3/t6-,7+/m0/s1
InChIKeyUWXUDHGKUWPPGB-NKWVEPMBSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds

About (3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one

(3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one (PubChem CID 10154155) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
PubChem CID10154155
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2C=CC(=O)[C@H]2O1
InChIInChI=1S/C8H10O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-4,6-7H,1-2H3/t6-,7+/m0/s1
InChIKeyUWXUDHGKUWPPGB-NKWVEPMBSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta(d)(1,3)dioxol-4-one
CID 10997245
1,4-Dioxaspiro[4.4]non-8-en-7-one
CID 11480486
2,2-dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one
CID 13700992
(3aS,6aR)-6-chloro-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 16079280
7,7-Dimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 44324183
5-Fluorospiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-one
CID 21611262
(1R,2R)-1,2-Dihydroxy-3-cyclopropen-5-one 1,2-Cyclohexyl Ketal
CID 11084740
(1S,5S,7R)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 11126662
ethyl (Z)-3-[(4S,5S)-5-acetyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11299489
(3aS,6aS)-spiro[3a,6a-dihydrocyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-4-one
CID 51357884
7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one
CID 85408430
Methyl (z)-3-[(4s,5s)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 129748885

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of (3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one (CID 10154155) is (3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for (3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for (3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one is CC1(C)O[C@H]2C=CC(=O)[C@H]2O1.
What is the InChIKey of (3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
The InChIKey is UWXUDHGKUWPPGB-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H10O3/c1-8(2)10-6-4-3-5(9)7(6)11-8/h3-4,6-7H,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one?
(3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one has a molecular weight of 154.16 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 10154155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).