methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene

C13H26 — CID 145132202

IUPACmethane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene
SMILESC.C.CC12C=CC(C)(CC1)C2(C)C
InChIInChI=1S/C11H18.2CH4/c1-9(2)10(3)5-7-11(9,4)8-6-10;;/h5,7H,6,8H2,1-4H3;2*1H4
InChIKeyMMRJJHUUGGXKQB-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.66
Rot. Bonds

About methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene

methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene (PubChem CID 145132202) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Namemethane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene
PubChem CID145132202
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Namemethane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene
SMILESC.C.CC12C=CC(C)(CC1)C2(C)C
InChIInChI=1S/C11H18.2CH4/c1-9(2)10(3)5-7-11(9,4)8-6-10;;/h5,7H,6,8H2,1-4H3;2*1H4
InChIKeyMMRJJHUUGGXKQB-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.66
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

(1R,4S)-1,2,4,7,7-pentamethylbicyclo[2.2.1]hept-2-ene
CID 11768906
(1S,4S)-2-chloro-1,4-dimethylbicyclo[2.2.2]oct-5-ene-2-carbonitrile
CID 11041668
1,1-dimethylcyclobutane;vanadium
CID 158712416
1,4-dimethylbicyclo[2.2.1]hepta-2,5-diene
CID 14454997
1,4,7-trimethylbicyclo[2.2.1]hept-2-ene
CID 123899625
1,4,4,5,5,6,6-heptamethylazocane
CID 154547970
(2Z,7Z)-6,6-dimethyl-4,5-dihydrooxocine
CID 163995219
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane
CID 23565911
(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
CID 14339064
4,4-dimethylcyclopentene;methane
CID 143166820
1,1-dimethylcyclohexane;methane
CID 160770296
ethane;methane;1,1,2,2-tetramethylcyclohexane
CID 144894499

Frequently Asked Questions

What is the IUPAC name of methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene (CID 145132202) is methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene is C.C.CC12C=CC(C)(CC1)C2(C)C.
What is the InChIKey of methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is MMRJJHUUGGXKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.2CH4/c1-9(2)10(3)5-7-11(9,4)8-6-10;;/h5,7H,6,8H2,1-4H3;2*1H4.
What are the key properties of methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene?
methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 182.35 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 145132202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).