1,1,3-trimethyl-2-methylidenecyclopentane

C9H16 — CID 102022448

IUPAC1,1,3-trimethyl-2-methylidenecyclopentane
SMILESC=C1C(C)CCC1(C)C
InChIInChI=1S/C9H16/c1-7-5-6-9(3,4)8(7)2/h7H,2,5-6H2,1,3-4H3
InChIKeyUQWAKNKLQKXTSN-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds

About 1,1,3-trimethyl-2-methylidenecyclopentane

1,1,3-trimethyl-2-methylidenecyclopentane (PubChem CID 102022448) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,1,3-trimethyl-2-methylidenecyclopentane.

Molecular Properties

Compound Name1,1,3-trimethyl-2-methylidenecyclopentane
PubChem CID102022448
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,1,3-trimethyl-2-methylidenecyclopentane
SMILESC=C1C(C)CCC1(C)C
InChIInChI=1S/C9H16/c1-7-5-6-9(3,4)8(7)2/h7H,2,5-6H2,1,3-4H3
InChIKeyUQWAKNKLQKXTSN-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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 1,1,3-trimethyl-2-methylidenecyclopentane?
The IUPAC name of 1,1,3-trimethyl-2-methylidenecyclopentane (CID 102022448) is 1,1,3-trimethyl-2-methylidenecyclopentane.
What is the SMILES notation for 1,1,3-trimethyl-2-methylidenecyclopentane?
The canonical SMILES for 1,1,3-trimethyl-2-methylidenecyclopentane is C=C1C(C)CCC1(C)C.
What is the InChIKey of 1,1,3-trimethyl-2-methylidenecyclopentane?
The InChIKey is UQWAKNKLQKXTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-7-5-6-9(3,4)8(7)2/h7H,2,5-6H2,1,3-4H3.
What are the key properties of 1,1,3-trimethyl-2-methylidenecyclopentane?
1,1,3-trimethyl-2-methylidenecyclopentane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-2-methylidenecyclopentane is sourced from PubChem (CID 102022448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).