1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane

C14H24 — CID 123550759

IUPAC1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane
SMILESCCCC(C)=C=CC1CC(CCC)C1
InChIInChI=1S/C14H24/c1-4-6-12(3)8-9-14-10-13(11-14)7-5-2/h9,13-14H,4-7,10-11H2,1-3H3
InChIKeyCGBRWGFHVQFEQC-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.71
Rot. Bonds5

About 1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane

1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane (PubChem CID 123550759) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane.

Molecular Properties

Compound Name1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane
PubChem CID123550759
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane
SMILESCCCC(C)=C=CC1CC(CCC)C1
InChIInChI=1S/C14H24/c1-4-6-12(3)8-9-14-10-13(11-14)7-5-2/h9,13-14H,4-7,10-11H2,1-3H3
InChIKeyCGBRWGFHVQFEQC-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane?
The IUPAC name of 1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane (CID 123550759) is 1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane.
What is the SMILES notation for 1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane?
The canonical SMILES for 1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane is CCCC(C)=C=CC1CC(CCC)C1.
What is the InChIKey of 1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane?
The InChIKey is CGBRWGFHVQFEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-4-6-12(3)8-9-14-10-13(11-14)7-5-2/h9,13-14H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane?
1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane has a molecular weight of 192.35 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane is sourced from PubChem (CID 123550759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).