1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane

C18H36 — CID 550133

IUPAC1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane
SMILESCCCCCCCCCC1CC1(C)C(C)C(C)C
InChIInChI=1S/C18H36/c1-6-7-8-9-10-11-12-13-17-14-18(17,5)16(4)15(2)3/h15-17H,6-14H2,1-5H3
InChIKeyZTXPIEIDVLQNAG-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.45
Rot. Bonds10

About 1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane

1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane (PubChem CID 550133) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane.

Molecular Properties

Compound Name1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane
PubChem CID550133
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane
SMILESCCCCCCCCCC1CC1(C)C(C)C(C)C
InChIInChI=1S/C18H36/c1-6-7-8-9-10-11-12-13-17-14-18(17,5)16(4)15(2)3/h15-17H,6-14H2,1-5H3
InChIKeyZTXPIEIDVLQNAG-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane?
The IUPAC name of 1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane (CID 550133) is 1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane.
What is the SMILES notation for 1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane?
The canonical SMILES for 1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane is CCCCCCCCCC1CC1(C)C(C)C(C)C.
What is the InChIKey of 1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane?
The InChIKey is ZTXPIEIDVLQNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-6-7-8-9-10-11-12-13-17-14-18(17,5)16(4)15(2)3/h15-17H,6-14H2,1-5H3.
What are the key properties of 1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane?
1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane has a molecular weight of 252.49 g/mol, XLogP of 6.45, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylbutan-2-yl)-2-nonylcyclopropane is sourced from PubChem (CID 550133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).