methane;1,2,4,4-tetramethylcyclohexene

C12H26 — CID 153358945

IUPACmethane;1,2,4,4-tetramethylcyclohexene
SMILESC.C.CC1=C(C)CC(C)(C)CC1
InChIInChI=1S/C10H18.2CH4/c1-8-5-6-10(3,4)7-9(8)2;;/h5-7H2,1-4H3;2*1H4
InChIKeyNGJMOAWPOOTTND-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.81
Rot. Bonds

About methane;1,2,4,4-tetramethylcyclohexene

methane;1,2,4,4-tetramethylcyclohexene (PubChem CID 153358945) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is methane;1,2,4,4-tetramethylcyclohexene.

Molecular Properties

Compound Namemethane;1,2,4,4-tetramethylcyclohexene
PubChem CID153358945
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Namemethane;1,2,4,4-tetramethylcyclohexene
SMILESC.C.CC1=C(C)CC(C)(C)CC1
InChIInChI=1S/C10H18.2CH4/c1-8-5-6-10(3,4)7-9(8)2;;/h5-7H2,1-4H3;2*1H4
InChIKeyNGJMOAWPOOTTND-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.81
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

ethane;1,2,4,4-tetramethylcyclopentene
CID 144931776
2,5-dimethylbicyclo[3.1.0]hex-1-ene
CID 91551735
(1R)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid
CID 130705827
1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene
CID 142035331
1-(1,3,4-trimethylcyclohex-3-en-1-yl)pentan-1-ol
CID 118389071
1,2,4,4-tetramethyl-5-[(2,5,5-trimethylcyclohexen-1-yl)methyl]cyclohexene
CID 123604594
(1S)-1-bromo-3,4-dimethylcyclohex-3-ene-1-carbaldehyde
CID 11009383
1,1-dimethyl-3-methylidenecyclohexane;ethane
CID 91238646
2-(3,3-dimethylcyclopentylidene)propanoic acid
CID 79007060
CID 169256338
CID 169256338
4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one
CID 15073434
1,2,4,4,6-pentamethylcycloheptene
CID 91222128

Frequently Asked Questions

What is the IUPAC name of methane;1,2,4,4-tetramethylcyclohexene?
The IUPAC name of methane;1,2,4,4-tetramethylcyclohexene (CID 153358945) is methane;1,2,4,4-tetramethylcyclohexene.
What is the SMILES notation for methane;1,2,4,4-tetramethylcyclohexene?
The canonical SMILES for methane;1,2,4,4-tetramethylcyclohexene is C.C.CC1=C(C)CC(C)(C)CC1.
What is the InChIKey of methane;1,2,4,4-tetramethylcyclohexene?
The InChIKey is NGJMOAWPOOTTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.2CH4/c1-8-5-6-10(3,4)7-9(8)2;;/h5-7H2,1-4H3;2*1H4.
What are the key properties of methane;1,2,4,4-tetramethylcyclohexene?
methane;1,2,4,4-tetramethylcyclohexene has a molecular weight of 170.34 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,4,4-tetramethylcyclohexene is sourced from PubChem (CID 153358945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).