3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene

C14H24O — CID 67702728

IUPAC3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene
SMILESCCC1=C(OC(C)C)C(C)(C)C(C)=C1C
InChIInChI=1S/C14H24O/c1-8-12-10(4)11(5)14(6,7)13(12)15-9(2)3/h9H,8H2,1-7H3
InChIKeyYIXFOQLOUNHMBI-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.45
Rot. Bonds3

About 3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene

3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene (PubChem CID 67702728) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene.

Molecular Properties

Compound Name3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene
PubChem CID67702728
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene
SMILESCCC1=C(OC(C)C)C(C)(C)C(C)=C1C
InChIInChI=1S/C14H24O/c1-8-12-10(4)11(5)14(6,7)13(12)15-9(2)3/h9H,8H2,1-7H3
InChIKeyYIXFOQLOUNHMBI-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1-Methoxyethyl)-5-(methoxymethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 22140459
4,5-Ditert-butyl-2-methyl-2,3-dihydrofuran
CID 23592138
4,5-Ditert-butyl-2,3-dihydrofuran
CID 57531847
4,5-ditert-butyl-3,3-dimethyl-2H-furan
CID 59129232
1,2,3,4-Tetramethyl-5-(1-propan-2-yloxyethyl)cyclopenta-1,3-diene
CID 67702729
2-Ethyl-1-methoxy-3,4,5,5-tetramethylcyclopenta-1,3-diene
CID 67702739
5-tert-butyl-4-ethyl-3,3-dimethyl-2H-furan
CID 68390315
4,5-diethyl-3,3-dimethyl-2H-furan
CID 68391466
4-Tert-butyl-5-ethyl-2,3-dihydrofuran
CID 68391594
4-tert-butyl-5-ethyl-3,3-dimethyl-2H-furan
CID 89141239
3,3,4-trimethyl-5-propan-2-yl-2H-furan
CID 89488960
4-ethyl-3,3,5-trimethyl-2H-furan
CID 89488994

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene?
The IUPAC name of 3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene (CID 67702728) is 3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene.
What is the SMILES notation for 3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene?
The canonical SMILES for 3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene is CCC1=C(OC(C)C)C(C)(C)C(C)=C1C.
What is the InChIKey of 3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene?
The InChIKey is YIXFOQLOUNHMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-8-12-10(4)11(5)14(6,7)13(12)15-9(2)3/h9H,8H2,1-7H3.
What are the key properties of 3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene?
3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene has a molecular weight of 208.34 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,5,5-tetramethyl-4-propan-2-yloxycyclopenta-1,3-diene is sourced from PubChem (CID 67702728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).