1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene

C18H30 — CID 123868273

IUPAC1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene
SMILESCCCC1(CCC)CC(C(C)C2=CC=C(C)C2)C1
InChIInChI=1S/C18H30/c1-5-9-18(10-6-2)12-17(13-18)15(4)16-8-7-14(3)11-16/h7-8,15,17H,5-6,9-13H2,1-4H3
InChIKeyRIFWHQIHEYVWAI-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.90
Rot. Bonds6

About 1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene

1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene (PubChem CID 123868273) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene
PubChem CID123868273
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene
SMILESCCCC1(CCC)CC(C(C)C2=CC=C(C)C2)C1
InChIInChI=1S/C18H30/c1-5-9-18(10-6-2)12-17(13-18)15(4)16-8-7-14(3)11-16/h7-8,15,17H,5-6,9-13H2,1-4H3
InChIKeyRIFWHQIHEYVWAI-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene?
The IUPAC name of 1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene (CID 123868273) is 1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene?
The canonical SMILES for 1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene is CCCC1(CCC)CC(C(C)C2=CC=C(C)C2)C1.
What is the InChIKey of 1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene?
The InChIKey is RIFWHQIHEYVWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-5-9-18(10-6-2)12-17(13-18)15(4)16-8-7-14(3)11-16/h7-8,15,17H,5-6,9-13H2,1-4H3.
What are the key properties of 1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene?
1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene has a molecular weight of 246.44 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-dipropylcyclobutyl)ethyl]-4-methylcyclopenta-1,3-diene is sourced from PubChem (CID 123868273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).