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

C12H18O2 — CID 175522039

IUPAC2-cyclopenta-2,4-dien-1-yl-2,4,4,5-tetramethyl-1,3-dioxolane
SMILESCC1OC(C)(C2C=CC=C2)OC1(C)C
InChIInChI=1S/C12H18O2/c1-9-11(2,3)14-12(4,13-9)10-7-5-6-8-10/h5-10H,1-4H3
InChIKeyNFRYZPXCCKTRPO-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds1

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

2-cyclopenta-2,4-dien-1-yl-2,4,4,5-tetramethyl-1,3-dioxolane (PubChem CID 175522039) 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-2,4,4,5-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-cyclopenta-2,4-dien-1-yl-2,4,4,5-tetramethyl-1,3-dioxolane
PubChem CID175522039
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-cyclopenta-2,4-dien-1-yl-2,4,4,5-tetramethyl-1,3-dioxolane
SMILESCC1OC(C)(C2C=CC=C2)OC1(C)C
InChIInChI=1S/C12H18O2/c1-9-11(2,3)14-12(4,13-9)10-7-5-6-8-10/h5-10H,1-4H3
InChIKeyNFRYZPXCCKTRPO-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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-2,4-dien-1-yl-2,4,4,5-tetramethyl-1,3-dioxolane?
The IUPAC name of 2-cyclopenta-2,4-dien-1-yl-2,4,4,5-tetramethyl-1,3-dioxolane (CID 175522039) is 2-cyclopenta-2,4-dien-1-yl-2,4,4,5-tetramethyl-1,3-dioxolane.
What is the SMILES notation for 2-cyclopenta-2,4-dien-1-yl-2,4,4,5-tetramethyl-1,3-dioxolane?
The canonical SMILES for 2-cyclopenta-2,4-dien-1-yl-2,4,4,5-tetramethyl-1,3-dioxolane is CC1OC(C)(C2C=CC=C2)OC1(C)C.
What is the InChIKey of 2-cyclopenta-2,4-dien-1-yl-2,4,4,5-tetramethyl-1,3-dioxolane?
The InChIKey is NFRYZPXCCKTRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-11(2,3)14-12(4,13-9)10-7-5-6-8-10/h5-10H,1-4H3.
What are the key properties of 2-cyclopenta-2,4-dien-1-yl-2,4,4,5-tetramethyl-1,3-dioxolane?
2-cyclopenta-2,4-dien-1-yl-2,4,4,5-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-2,4,4,5-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 175522039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).