1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane

C13H24 — CID 91304691

IUPAC1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane
SMILESCCC(C)=C(CC)C1CC1C(C)C
InChIInChI=1S/C13H24/c1-6-10(5)11(7-2)13-8-12(13)9(3)4/h9,12-13H,6-8H2,1-5H3
InChIKeyZSXYGQZHZLKBFY-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds4

About 1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane

1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane (PubChem CID 91304691) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane.

Molecular Properties

Compound Name1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane
PubChem CID91304691
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane
SMILESCCC(C)=C(CC)C1CC1C(C)C
InChIInChI=1S/C13H24/c1-6-10(5)11(7-2)13-8-12(13)9(3)4/h9,12-13H,6-8H2,1-5H3
InChIKeyZSXYGQZHZLKBFY-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
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-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane?
The IUPAC name of 1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane (CID 91304691) is 1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane.
What is the SMILES notation for 1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane?
The canonical SMILES for 1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane is CCC(C)=C(CC)C1CC1C(C)C.
What is the InChIKey of 1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane?
The InChIKey is ZSXYGQZHZLKBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-10(5)11(7-2)13-8-12(13)9(3)4/h9,12-13H,6-8H2,1-5H3.
What are the key properties of 1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane?
1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane has a molecular weight of 180.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylhex-3-en-3-yl)-2-propan-2-ylcyclopropane is sourced from PubChem (CID 91304691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).