1-(2-methylbutyl)cyclopenta-1,3-diene

C10H16 — CID 12615007

IUPAC1-(2-methylbutyl)cyclopenta-1,3-diene
SMILESCCC(C)CC1=CC=CC1
InChIInChI=1S/C10H16/c1-3-9(2)8-10-6-4-5-7-10/h4-6,9H,3,7-8H2,1-2H3
InChIKeyCKNYXHUHIIWDST-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.31
Rot. Bonds3

About 1-(2-methylbutyl)cyclopenta-1,3-diene

1-(2-methylbutyl)cyclopenta-1,3-diene (PubChem CID 12615007) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-(2-methylbutyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2-methylbutyl)cyclopenta-1,3-diene
PubChem CID12615007
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-(2-methylbutyl)cyclopenta-1,3-diene
SMILESCCC(C)CC1=CC=CC1
InChIInChI=1S/C10H16/c1-3-9(2)8-10-6-4-5-7-10/h4-6,9H,3,7-8H2,1-2H3
InChIKeyCKNYXHUHIIWDST-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,3,3-trifluoropropyl)cyclopenta-1,3-diene
CID 175405139
bis(1-ethylcyclopenta-1,3-diene);ruthenium
CID 12730332
1-(2-methylbutyl)cyclobutene
CID 123668229
1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
4-cyclopenta-1,3-dien-1-yl-3-(cyclopenta-1,3-dien-1-ylmethyl)butan-1-ol
CID 67865964
1-(5-methylheptan-2-yl)cyclopenta-1,3-diene
CID 163645730
chloro-(cyclopenta-1,3-dien-1-ylmethyl)-dimethylsilane
CID 69428205
1-ethylcyclopenta-1,3-diene;1H-pyrrole
CID 161342493
butan-2-yl(2-cyclopenta-1,3-dien-1-ylethyl)azanide;carbanide;ethyl(methyl)azanide;hafnium(4+)
CID 153433923
1-(2-chloroethyl)cyclopenta-1,3-diene
CID 67710755
1-ethylcyclohepta-1,3,5-triene;methane
CID 145260552
carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride
CID 87682441

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)cyclopenta-1,3-diene?
The IUPAC name of 1-(2-methylbutyl)cyclopenta-1,3-diene (CID 12615007) is 1-(2-methylbutyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2-methylbutyl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2-methylbutyl)cyclopenta-1,3-diene is CCC(C)CC1=CC=CC1.
What is the InChIKey of 1-(2-methylbutyl)cyclopenta-1,3-diene?
The InChIKey is CKNYXHUHIIWDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-3-9(2)8-10-6-4-5-7-10/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)cyclopenta-1,3-diene?
1-(2-methylbutyl)cyclopenta-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)cyclopenta-1,3-diene is sourced from PubChem (CID 12615007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).