1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane

C23H44 — CID 90737555

IUPAC1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane
SMILESC=C(C)C1C(CC)C1CC(CCC)C(C)(C)CC(C)CCCC
InChIInChI=1S/C23H44/c1-9-12-14-18(6)16-23(7,8)19(13-10-2)15-21-20(11-3)22(21)17(4)5/h18-22H,4,9-16H2,1-3,5-8H3
InChIKeyMLDQNSKXWMIZRC-UHFFFAOYSA-N
MW320.61 g/mol
LogP7.88
Rot. Bonds12

About 1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane

1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane (PubChem CID 90737555) has the molecular formula C23H44 and a molecular weight of 320.61 g/mol. Its IUPAC name is 1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane
PubChem CID90737555
Molecular FormulaC23H44
Molecular Weight320.61 g/mol
Exact Mass320.34
IUPAC Name1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane
SMILESC=C(C)C1C(CC)C1CC(CCC)C(C)(C)CC(C)CCCC
InChIInChI=1S/C23H44/c1-9-12-14-18(6)16-23(7,8)19(13-10-2)15-21-20(11-3)22(21)17(4)5/h18-22H,4,9-16H2,1-3,5-8H3
InChIKeyMLDQNSKXWMIZRC-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.61
LogP ≤ 57.88
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-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane?
The IUPAC name of 1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane (CID 90737555) is 1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane.
What is the SMILES notation for 1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane?
The canonical SMILES for 1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane is C=C(C)C1C(CC)C1CC(CCC)C(C)(C)CC(C)CCCC.
What is the InChIKey of 1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane?
The InChIKey is MLDQNSKXWMIZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44/c1-9-12-14-18(6)16-23(7,8)19(13-10-2)15-21-20(11-3)22(21)17(4)5/h18-22H,4,9-16H2,1-3,5-8H3.
What are the key properties of 1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane?
1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane has a molecular weight of 320.61 g/mol, XLogP of 7.88, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane is sourced from PubChem (CID 90737555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).