5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene

C15H26O — CID 123562325

IUPAC5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene
SMILESCC(C)(C)CCC1C=CC(OC(C)(C)C)=C1
InChIInChI=1S/C15H26O/c1-14(2,3)10-9-12-7-8-13(11-12)16-15(4,5)6/h7-8,11-12H,9-10H2,1-6H3
InChIKeyYABMDUGHIRFZJZ-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.70
Rot. Bonds3

About 5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene

5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene (PubChem CID 123562325) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene
PubChem CID123562325
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene
SMILESCC(C)(C)CCC1C=CC(OC(C)(C)C)=C1
InChIInChI=1S/C15H26O/c1-14(2,3)10-9-12-7-8-13(11-12)16-15(4,5)6/h7-8,11-12H,9-10H2,1-6H3
InChIKeyYABMDUGHIRFZJZ-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,7,7-Trimethyl-1-penta-1,3-dienyl-2-oxabicyclo[3.2.0]hept-3-ene
CID 5372994
2,2-Ditert-butyl-6-methylpyran
CID 15091182
2-[(2-Methylpropan-2-yl)oxy]-5-propylcyclohexa-1,3-diene
CID 90907785
5-Methyl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
CID 91162133
5-Ethyl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
CID 91408728
5-Butan-2-yl-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
CID 118242692
2-[(2-Methylpropan-2-yl)oxy]-5-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,3-diene
CID 123609909
2-(2-Methylbutan-2-yloxy)-5-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene
CID 123776868
2-(2-Methylbutan-2-yloxy)-5-(2,2,5,5-tetramethylhexan-3-yl)cyclohepta-1,3,5-triene
CID 123942496
(2E,4Z)-8-methyl-3-prop-2-enoxynona-2,4-diene
CID 130307938
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2,2-dimethyl-3H-furan
CID 130404285
(2E,4E)-6-tert-butyl-5-ethenyl-8,8-dimethyl-3-(3-methylpentan-3-yloxy)nona-2,4-diene
CID 134502376

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene?
The IUPAC name of 5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene (CID 123562325) is 5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene.
What is the SMILES notation for 5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene?
The canonical SMILES for 5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene is CC(C)(C)CCC1C=CC(OC(C)(C)C)=C1.
What is the InChIKey of 5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene?
The InChIKey is YABMDUGHIRFZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-14(2,3)10-9-12-7-8-13(11-12)16-15(4,5)6/h7-8,11-12H,9-10H2,1-6H3.
What are the key properties of 5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene?
5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene has a molecular weight of 222.37 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]cyclopenta-1,3-diene is sourced from PubChem (CID 123562325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).