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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Related Compounds

1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene
CID 59187215
2-[(1S,3R)-1,3-dimethyl-2-methylidenecyclohexyl]-1,3-dithiane
CID 10633955
1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one
CID 14706860
4-bromo-2-(1,3-dimethyl-2-methylidenecyclopentyl)-5-methylphenol
CID 3015472
ethane;1,3,3,6-tetramethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene
CID 142271959
1-methyl-2-methylidenecyclobutane
CID 20800914
6-chloro-1,4,4-trimethyl-2,3-dihydro-1H-naphthalene;ethane
CID 142273964
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octane
CID 15560143
(1Z)-1,2,3,3,6-pentamethylcyclooctene
CID 142284308
(E)-4-(3,3-dimethyl-2-methylidenecyclohexyl)but-3-en-2-one
CID 135020252
3-methyl-1-[(1S,5S)-2,2,5-trimethyl-6-methylidenecyclohexyl]but-2-en-1-one
CID 70589391

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).