1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane

C14H26 — CID 123265470

IUPAC1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane
SMILESCCCC(C)C(C)C1CCC1=C(C)C
InChIInChI=1S/C14H26/c1-6-7-11(4)12(5)14-9-8-13(14)10(2)3/h11-12,14H,6-9H2,1-5H3
InChIKeyDEBHYHUYHAFDCB-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.81
Rot. Bonds4

About 1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane

1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane (PubChem CID 123265470) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane.

Molecular Properties

Compound Name1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane
PubChem CID123265470
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane
SMILESCCCC(C)C(C)C1CCC1=C(C)C
InChIInChI=1S/C14H26/c1-6-7-11(4)12(5)14-9-8-13(14)10(2)3/h11-12,14H,6-9H2,1-5H3
InChIKeyDEBHYHUYHAFDCB-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.81
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 1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane?
The IUPAC name of 1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane (CID 123265470) is 1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane.
What is the SMILES notation for 1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane?
The canonical SMILES for 1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane is CCCC(C)C(C)C1CCC1=C(C)C.
What is the InChIKey of 1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane?
The InChIKey is DEBHYHUYHAFDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-6-7-11(4)12(5)14-9-8-13(14)10(2)3/h11-12,14H,6-9H2,1-5H3.
What are the key properties of 1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane?
1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane has a molecular weight of 194.36 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylhexan-2-yl)-2-propan-2-ylidenecyclobutane is sourced from PubChem (CID 123265470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).