1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane

C21H40 — CID 22142089

IUPAC1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane
SMILESC=C(C)C1C(CC(C)(C)CC(C)C)CC(C)(C)CC1(C)C
InChIInChI=1S/C21H40/c1-15(2)11-19(5,6)12-17-13-20(7,8)14-21(9,10)18(17)16(3)4/h15,17-18H,3,11-14H2,1-2,4-10H3
InChIKeyRKIRUWUUGLPTCW-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.10
Rot. Bonds5

About 1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane

1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane (PubChem CID 22142089) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane.

Molecular Properties

Compound Name1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane
PubChem CID22142089
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane
SMILESC=C(C)C1C(CC(C)(C)CC(C)C)CC(C)(C)CC1(C)C
InChIInChI=1S/C21H40/c1-15(2)11-19(5,6)12-17-13-20(7,8)14-21(9,10)18(17)16(3)4/h15,17-18H,3,11-14H2,1-2,4-10H3
InChIKeyRKIRUWUUGLPTCW-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.10
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

Beta-Elemene
CID 6918391
Beta-Selinene
CID 442393
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-rel-
CID 10583
7-Isopropenyl-4a-methyl-1-methylenedecahydronaphthalene
CID 519361
Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-
CID 9859094
(-)-cis-beta-Elemene
CID 6431151
(-)-beta-Selinene
CID 28237
Cyclohexane, 1-(1,1-dimethylethyl)-4-methylene-
CID 139425
Sodorifen
CID 46187193
Ineleganene
CID 10754687
Lobophytumin D
CID 56598868
(1S,2R,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
CID 6431152

Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane?
The IUPAC name of 1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane (CID 22142089) is 1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane.
What is the SMILES notation for 1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane?
The canonical SMILES for 1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane is C=C(C)C1C(CC(C)(C)CC(C)C)CC(C)(C)CC1(C)C.
What is the InChIKey of 1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane?
The InChIKey is RKIRUWUUGLPTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-15(2)11-19(5,6)12-17-13-20(7,8)14-21(9,10)18(17)16(3)4/h15,17-18H,3,11-14H2,1-2,4-10H3.
What are the key properties of 1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane?
1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane has a molecular weight of 292.55 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetramethyl-2-prop-1-en-2-yl-3-(2,2,4-trimethylpentyl)cyclohexane is sourced from PubChem (CID 22142089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).