1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane

C32H64 — CID 123555302

IUPAC1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane
SMILESCCCC(C)(CC(CCC(C)C)C(CC)CC(C)(C)C)C(CC)(C1CC1C)C(C)(C)CC
InChIInChI=1S/C32H64/c1-14-20-31(13,32(17-4,28-21-25(28)7)30(11,12)16-3)23-27(19-18-24(5)6)26(15-2)22-29(8,9)10/h24-28H,14-23H2,1-13H3
InChIKeyVKLRKCOESVMEJB-UHFFFAOYSA-N
MW448.86 g/mol
LogP11.19
Rot. Bonds15

About 1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane

1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane (PubChem CID 123555302) has the molecular formula C32H64 and a molecular weight of 448.86 g/mol. Its IUPAC name is 1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane.

Molecular Properties

Compound Name1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane
PubChem CID123555302
Molecular FormulaC32H64
Molecular Weight448.86 g/mol
Exact Mass448.50
IUPAC Name1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane
SMILESCCCC(C)(CC(CCC(C)C)C(CC)CC(C)(C)C)C(CC)(C1CC1C)C(C)(C)CC
InChIInChI=1S/C32H64/c1-14-20-31(13,32(17-4,28-21-25(28)7)30(11,12)16-3)23-27(19-18-24(5)6)26(15-2)22-29(8,9)10/h24-28H,14-23H2,1-13H3
InChIKeyVKLRKCOESVMEJB-UHFFFAOYSA-N
XLogP11.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.86
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane?
The IUPAC name of 1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane (CID 123555302) is 1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane.
What is the SMILES notation for 1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane?
The canonical SMILES for 1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane is CCCC(C)(CC(CCC(C)C)C(CC)CC(C)(C)C)C(CC)(C1CC1C)C(C)(C)CC.
What is the InChIKey of 1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane?
The InChIKey is VKLRKCOESVMEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64/c1-14-20-31(13,32(17-4,28-21-25(28)7)30(11,12)16-3)23-27(19-18-24(5)6)26(15-2)22-29(8,9)10/h24-28H,14-23H2,1-13H3.
What are the key properties of 1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane?
1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane has a molecular weight of 448.86 g/mol, XLogP of 11.19, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2,3,7-triethyl-2,4,9,9-tetramethyl-6-(3-methylbutyl)-4-propyldecan-3-yl]cyclopropane is sourced from PubChem (CID 123555302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).