3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane

C25H38O — CID 22286655

IUPAC3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
SMILESCC1=C(C)C(C)(C)C(C2(C3=C(C)C(C)=C(C)C3(C)C)OCCC2C)=C1C
InChIInChI=1S/C25H38O/c1-14-12-13-26-25(14,21-17(4)15(2)19(6)23(21,8)9)22-18(5)16(3)20(7)24(22,10)11/h14H,12-13H2,1-11H3
InChIKeyNFYZTVXMMFBEEZ-UHFFFAOYSA-N
MW354.58 g/mol
LogP7.17
Rot. Bonds2

About 3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane

3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane (PubChem CID 22286655) has the molecular formula C25H38O and a molecular weight of 354.58 g/mol. Its IUPAC name is 3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane.

Molecular Properties

Compound Name3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
PubChem CID22286655
Molecular FormulaC25H38O
Molecular Weight354.58 g/mol
Exact Mass354.29
IUPAC Name3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
SMILESCC1=C(C)C(C)(C)C(C2(C3=C(C)C(C)=C(C)C3(C)C)OCCC2C)=C1C
InChIInChI=1S/C25H38O/c1-14-12-13-26-25(14,21-17(4)15(2)19(6)23(21,8)9)22-18(5)16(3)20(7)24(22,10)11/h14H,12-13H2,1-11H3
InChIKeyNFYZTVXMMFBEEZ-UHFFFAOYSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Trimethyl-[3,3,4,5-tetramethyl-2-[2-(3,4,5,5-tetramethyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)oxolan-2-yl]cyclopenta-1,4-dien-1-yl]silane
CID 22065612
2,2-Bis(3,4,5,5-tetramethyl-2-propan-2-ylcyclopenta-1,3-dien-1-yl)oxolane
CID 22065614
2,2-Bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane
CID 22065618
3-Iodo-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 22286650
3-Iodo-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 22286651
3-Methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 22286654
2,2,3,5,5-Pentamethyl-4-(2,4,5,5-tetramethylcyclopenten-1-yl)furan
CID 59012672
3-Pentoxy-1,2,3,4,4,5,5,6-octapentylcyclohexene
CID 67207334
3-Butoxy-1,2,3,4,4,5,5,6-octabutylcyclohexene
CID 68433509
2-Methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 87913141
2-Methyl-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 87913142
2-Iodo-2,3-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 87913143

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The IUPAC name of 3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane (CID 22286655) is 3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane.
What is the SMILES notation for 3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The canonical SMILES for 3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane is CC1=C(C)C(C)(C)C(C2(C3=C(C)C(C)=C(C)C3(C)C)OCCC2C)=C1C.
What is the InChIKey of 3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
The InChIKey is NFYZTVXMMFBEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O/c1-14-12-13-26-25(14,21-17(4)15(2)19(6)23(21,8)9)22-18(5)16(3)20(7)24(22,10)11/h14H,12-13H2,1-11H3.
What are the key properties of 3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane?
3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane has a molecular weight of 354.58 g/mol, XLogP of 7.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,2-bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane is sourced from PubChem (CID 22286655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).