2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran

C14H22O — CID 20642350

IUPAC2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran
SMILESCC1(C)OC2C=CC=C2C(C)(C)C1(C)C
InChIInChI=1S/C14H22O/c1-12(2)10-8-7-9-11(10)15-14(5,6)13(12,3)4/h7-9,11H,1-6H3
InChIKeyIMNXQYJDFFCHRY-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.71
Rot. Bonds

About 2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran

2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran (PubChem CID 20642350) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran.

Molecular Properties

Compound Name2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran
PubChem CID20642350
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran
SMILESCC1(C)OC2C=CC=C2C(C)(C)C1(C)C
InChIInChI=1S/C14H22O/c1-12(2)10-8-7-9-11(10)15-14(5,6)13(12,3)4/h7-9,11H,1-6H3
InChIKeyIMNXQYJDFFCHRY-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran?
The IUPAC name of 2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran (CID 20642350) is 2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran.
What is the SMILES notation for 2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran?
The canonical SMILES for 2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran is CC1(C)OC2C=CC=C2C(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran?
The InChIKey is IMNXQYJDFFCHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-12(2)10-8-7-9-11(10)15-14(5,6)13(12,3)4/h7-9,11H,1-6H3.
What are the key properties of 2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran?
2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran has a molecular weight of 206.33 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexamethyl-7aH-cyclopenta[b]pyran is sourced from PubChem (CID 20642350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).