1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane

C24H44 — CID 91483698

IUPAC1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane
SMILESCCC=C(C)C(C)=C(C)C(CCC)CC(C)(CC1CC1C)C(C)C
InChIInChI=1S/C24H44/c1-10-12-18(5)20(7)21(8)22(13-11-2)15-24(9,17(3)4)16-23-14-19(23)6/h12,17,19,22-23H,10-11,13-16H2,1-9H3
InChIKeyVKBGCQGRUSGHDL-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.19
Rot. Bonds10

About 1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane

1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane (PubChem CID 91483698) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane.

Molecular Properties

Compound Name1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane
PubChem CID91483698
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane
SMILESCCC=C(C)C(C)=C(C)C(CCC)CC(C)(CC1CC1C)C(C)C
InChIInChI=1S/C24H44/c1-10-12-18(5)20(7)21(8)22(13-11-2)15-24(9,17(3)4)16-23-14-19(23)6/h12,17,19,22-23H,10-11,13-16H2,1-9H3
InChIKeyVKBGCQGRUSGHDL-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane?
The IUPAC name of 1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane (CID 91483698) is 1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane.
What is the SMILES notation for 1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane?
The canonical SMILES for 1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane is CCC=C(C)C(C)=C(C)C(CCC)CC(C)(CC1CC1C)C(C)C.
What is the InChIKey of 1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane?
The InChIKey is VKBGCQGRUSGHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-10-12-18(5)20(7)21(8)22(13-11-2)15-24(9,17(3)4)16-23-14-19(23)6/h12,17,19,22-23H,10-11,13-16H2,1-9H3.
What are the key properties of 1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane?
1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane has a molecular weight of 332.62 g/mol, XLogP of 8.19, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,5,6,7-tetramethyl-2-propan-2-yl-4-propyldeca-5,7-dienyl)cyclopropane is sourced from PubChem (CID 91483698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).