molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane

C30H60 — CID 160699164

IUPACmolecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCC1CCC(C)C(C)(C)C1.CC1CCC2CC1C2(C)C.CC1CCCC(C)(C)C1C.[H][H]
InChIInChI=1S/C10H18.2C10H20.H2/c1-7-4-5-8-6-9(7)10(8,2)3;1-8-5-6-9(2)10(3,4)7-8;1-8-6-5-7-10(3,4)9(8)2;/h7-9H,4-6H2,1-3H3;2*8-9H,5-7H2,1-4H3;1H
InChIKeyRQJRMAFCOXZUEC-UHFFFAOYSA-N
MW420.81 g/mol
LogP10.26
Rot. Bonds

About molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane

molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane (PubChem CID 160699164) has the molecular formula C30H60 and a molecular weight of 420.81 g/mol. Its IUPAC name is molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Namemolecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane
PubChem CID160699164
Molecular FormulaC30H60
Molecular Weight420.81 g/mol
Exact Mass420.47
IUPAC Namemolecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCC1CCC(C)C(C)(C)C1.CC1CCC2CC1C2(C)C.CC1CCCC(C)(C)C1C.[H][H]
InChIInChI=1S/C10H18.2C10H20.H2/c1-7-4-5-8-6-9(7)10(8,2)3;1-8-5-6-9(2)10(3,4)7-8;1-8-6-5-7-10(3,4)9(8)2;/h7-9H,4-6H2,1-3H3;2*8-9H,5-7H2,1-4H3;1H
InChIKeyRQJRMAFCOXZUEC-UHFFFAOYSA-N
XLogP10.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.81
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane with MolForge

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Related Compounds

azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
ethane;(1R,2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979197
ethane;(2R,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 142979252
(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane;hydrate
CID 68845775
formaldehyde;1,1,2,3-tetramethylcyclohexane
CID 175438935
1,1,2,2-tetramethylcyclohexane;1,1,2,3-tetramethylcyclohexane;1,1,2,4-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;1,1,2,6-tetramethylcyclohexane;1,1,3,3-tetramethylcyclohexane;1,1,3,4-tetramethylcyclohexane;1,1,3,5-tetramethylcyclohexane;1,1,4,4-tetramethylcyclohexane
CID 160924502
[(1S,3R,4R,8R,11S,12R)-4,12,15,15-tetramethyl-8-tricyclo[9.3.1.03,8]pentadecanyl]methanol
CID 66964570
1,1,2,7-tetramethylcyclooctane
CID 141451493
carbamic acid;(1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane
CID 66784085
potassium;2,6,6-trimethylbicyclo[3.1.1]heptane;acetate
CID 175847104
1,1,2,8-tetramethylcyclononane
CID 123968014

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane?
The IUPAC name of molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane (CID 160699164) is molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane.
What is the SMILES notation for molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane?
The canonical SMILES for molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane is CC1CCC(C)C(C)(C)C1.CC1CCC2CC1C2(C)C.CC1CCCC(C)(C)C1C.[H][H].
What is the InChIKey of molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane?
The InChIKey is RQJRMAFCOXZUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.2C10H20.H2/c1-7-4-5-8-6-9(7)10(8,2)3;1-8-5-6-9(2)10(3,4)7-8;1-8-6-5-7-10(3,4)9(8)2;/h7-9H,4-6H2,1-3H3;2*8-9H,5-7H2,1-4H3;1H.
What are the key properties of molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane?
molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane has a molecular weight of 420.81 g/mol, XLogP of 10.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1,1,2,3-tetramethylcyclohexane;1,1,2,5-tetramethylcyclohexane;2,6,6-trimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 160699164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).