1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane

C17H32 — CID 91029529

IUPAC1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane
SMILESC=C(CC1CCC(C)(CCC)C1(C)C)C(C)C
InChIInChI=1S/C17H32/c1-8-10-17(7)11-9-15(16(17,5)6)12-14(4)13(2)3/h13,15H,4,8-12H2,1-3,5-7H3
InChIKeyZTITVMTWMHSALZ-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.83
Rot. Bonds5

About 1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane

1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane (PubChem CID 91029529) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane
PubChem CID91029529
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane
SMILESC=C(CC1CCC(C)(CCC)C1(C)C)C(C)C
InChIInChI=1S/C17H32/c1-8-10-17(7)11-9-15(16(17,5)6)12-14(4)13(2)3/h13,15H,4,8-12H2,1-3,5-7H3
InChIKeyZTITVMTWMHSALZ-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.83
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 1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane?
The IUPAC name of 1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane (CID 91029529) is 1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane.
What is the SMILES notation for 1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane?
The canonical SMILES for 1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane is C=C(CC1CCC(C)(CCC)C1(C)C)C(C)C.
What is the InChIKey of 1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane?
The InChIKey is ZTITVMTWMHSALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-8-10-17(7)11-9-15(16(17,5)6)12-14(4)13(2)3/h13,15H,4,8-12H2,1-3,5-7H3.
What are the key properties of 1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane?
1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane has a molecular weight of 236.44 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3-(3-methyl-2-methylidenebutyl)-1-propylcyclopentane is sourced from PubChem (CID 91029529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).