4,4-dimethylcyclopentene;methane

C8H16 — CID 143166820

IUPAC4,4-dimethylcyclopentene;methane
SMILESC.CC1(C)CC=CC1
InChIInChI=1S/C7H12.CH4/c1-7(2)5-3-4-6-7;/h3-4H,5-6H2,1-2H3;1H4
InChIKeyIBWCTLWSSSMOIL-UHFFFAOYSA-N
MW112.22 g/mol
LogP3.00
Rot. Bonds

About 4,4-dimethylcyclopentene;methane

4,4-dimethylcyclopentene;methane (PubChem CID 143166820) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 4,4-dimethylcyclopentene;methane.

Molecular Properties

Compound Name4,4-dimethylcyclopentene;methane
PubChem CID143166820
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name4,4-dimethylcyclopentene;methane
SMILESC.CC1(C)CC=CC1
InChIInChI=1S/C7H12.CH4/c1-7(2)5-3-4-6-7;/h3-4H,5-6H2,1-2H3;1H4
InChIKeyIBWCTLWSSSMOIL-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
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

acetaldehyde;4,4-dimethylcyclopentene;ethane
CID 144700874
(2R)-1,2-dimethylcyclohex-4-ene-1,2-diol
CID 15499572
5,5-dimethyl-3-methylidenecyclohexene
CID 13354246
2,2,7,7-tetramethylcyclohept-4-en-1-one
CID 10986628
(5Z)-3,3,7,7-tetramethyl-4,8-dihydro-2H-thiocine
CID 153422566
tricyclo[4.3.3.01,6]dodec-3-ene
CID 14114531
(5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene
CID 22787987
6,6-dimethyl-2,5-dihydroselenopyran
CID 101002388
5,5-dimethylcyclohept-2-en-1-one
CID 14809655
(5,5-dimethylcyclohex-2-en-1-yl)-trimethylsilane
CID 22314854
(6Z)-9-ethyl-1,4,4,9-tetramethyl-3,5,8,10-tetrahydro-2H-azecine
CID 166969577
4-chloro-4-methylcyclohexene
CID 14144779

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylcyclopentene;methane?
The IUPAC name of 4,4-dimethylcyclopentene;methane (CID 143166820) is 4,4-dimethylcyclopentene;methane.
What is the SMILES notation for 4,4-dimethylcyclopentene;methane?
The canonical SMILES for 4,4-dimethylcyclopentene;methane is C.CC1(C)CC=CC1.
What is the InChIKey of 4,4-dimethylcyclopentene;methane?
The InChIKey is IBWCTLWSSSMOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.CH4/c1-7(2)5-3-4-6-7;/h3-4H,5-6H2,1-2H3;1H4.
What are the key properties of 4,4-dimethylcyclopentene;methane?
4,4-dimethylcyclopentene;methane has a molecular weight of 112.22 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 4,4-dimethylcyclopentene;methane is sourced from PubChem (CID 143166820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).