2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane

C12H18O2 — CID 178067772

IUPAC2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(C2C=CC=C2)OC1(C)C
InChIInChI=1S/C12H18O2/c1-11(2)12(3,4)14-10(13-11)9-7-5-6-8-9/h5-10H,1-4H3
InChIKeySWURTDJWSQZKDA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds1

About 2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane

2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane (PubChem CID 178067772) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane
PubChem CID178067772
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(C2C=CC=C2)OC1(C)C
InChIInChI=1S/C12H18O2/c1-11(2)12(3,4)14-10(13-11)9-7-5-6-8-9/h5-10H,1-4H3
InChIKeySWURTDJWSQZKDA-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 15253211
CID 15253211
CID 143642405
CID 143642405
CID 144274410
CID 144274410
CID 12159524
CID 12159524
CID 101147589
CID 101147589
CID 136472361
CID 136472361
CID 142850190
CID 142850190
CID 175522039
CID 175522039
CID 178598971
CID 178598971

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane (CID 178067772) is 2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane is CC1(C)OC(C2C=CC=C2)OC1(C)C.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane?
The InChIKey is SWURTDJWSQZKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-11(2)12(3,4)14-10(13-11)9-7-5-6-8-9/h5-10H,1-4H3.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane?
2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane has a molecular weight of 194.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-2,4-dien-1-yl-4,4,5,5-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 178067772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).