3-methylpenta-1,4-dien-2-ylcyclobutane

C10H16 — CID 142918238

IUPAC3-methylpenta-1,4-dien-2-ylcyclobutane
SMILESC=CC(C)C(=C)C1CCC1
InChIInChI=1S/C10H16/c1-4-8(2)9(3)10-6-5-7-10/h4,8,10H,1,3,5-7H2,2H3
InChIKeyPITPBHMBCVVPRA-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds3

About 3-methylpenta-1,4-dien-2-ylcyclobutane

3-methylpenta-1,4-dien-2-ylcyclobutane (PubChem CID 142918238) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-methylpenta-1,4-dien-2-ylcyclobutane.

Molecular Properties

Compound Name3-methylpenta-1,4-dien-2-ylcyclobutane
PubChem CID142918238
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3-methylpenta-1,4-dien-2-ylcyclobutane
SMILESC=CC(C)C(=C)C1CCC1
InChIInChI=1S/C10H16/c1-4-8(2)9(3)10-6-5-7-10/h4,8,10H,1,3,5-7H2,2H3
InChIKeyPITPBHMBCVVPRA-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylpenta-1,4-dien-2-ylcyclobutane?
The IUPAC name of 3-methylpenta-1,4-dien-2-ylcyclobutane (CID 142918238) is 3-methylpenta-1,4-dien-2-ylcyclobutane.
What is the SMILES notation for 3-methylpenta-1,4-dien-2-ylcyclobutane?
The canonical SMILES for 3-methylpenta-1,4-dien-2-ylcyclobutane is C=CC(C)C(=C)C1CCC1.
What is the InChIKey of 3-methylpenta-1,4-dien-2-ylcyclobutane?
The InChIKey is PITPBHMBCVVPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-8(2)9(3)10-6-5-7-10/h4,8,10H,1,3,5-7H2,2H3.
What are the key properties of 3-methylpenta-1,4-dien-2-ylcyclobutane?
3-methylpenta-1,4-dien-2-ylcyclobutane has a molecular weight of 136.24 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpenta-1,4-dien-2-ylcyclobutane is sourced from PubChem (CID 142918238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).