5,5-dimethyl-1-propylcyclopenta-1,3-diene

C10H16 — CID 572124

IUPAC5,5-dimethyl-1-propylcyclopenta-1,3-diene
SMILESCCCC1=CC=CC1(C)C
InChIInChI=1S/C10H16/c1-4-6-9-7-5-8-10(9,2)3/h5,7-8H,4,6H2,1-3H3
InChIKeySWHGNFDHVUBNKA-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.31
Rot. Bonds2

About 5,5-dimethyl-1-propylcyclopenta-1,3-diene

5,5-dimethyl-1-propylcyclopenta-1,3-diene (PubChem CID 572124) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 5,5-dimethyl-1-propylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5,5-dimethyl-1-propylcyclopenta-1,3-diene
PubChem CID572124
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name5,5-dimethyl-1-propylcyclopenta-1,3-diene
SMILESCCCC1=CC=CC1(C)C
InChIInChI=1S/C10H16/c1-4-6-9-7-5-8-10(9,2)3/h5,7-8H,4,6H2,1-3H3
InChIKeySWHGNFDHVUBNKA-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

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CID 5287678
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CID 102443
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CID 78453
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CID 6365330
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CID 170244
CID 170244
CID 578237
CID 578237
CID 14038477
CID 14038477
CID 5365055
CID 5365055
CID 6508206
CID 6508206
CID 228342
CID 228342
CID 528171
CID 528171

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-propylcyclopenta-1,3-diene?
The IUPAC name of 5,5-dimethyl-1-propylcyclopenta-1,3-diene (CID 572124) is 5,5-dimethyl-1-propylcyclopenta-1,3-diene.
What is the SMILES notation for 5,5-dimethyl-1-propylcyclopenta-1,3-diene?
The canonical SMILES for 5,5-dimethyl-1-propylcyclopenta-1,3-diene is CCCC1=CC=CC1(C)C.
What is the InChIKey of 5,5-dimethyl-1-propylcyclopenta-1,3-diene?
The InChIKey is SWHGNFDHVUBNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-6-9-7-5-8-10(9,2)3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-propylcyclopenta-1,3-diene?
5,5-dimethyl-1-propylcyclopenta-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-propylcyclopenta-1,3-diene is sourced from PubChem (CID 572124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).