2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane

C21H38 — CID 163712133

IUPAC2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane
SMILESC=C1CC(C(C)C)C(C(C)C2CCCC(C)C2)C(C)C1C
InChIInChI=1S/C21H38/c1-13(2)20-12-15(4)16(5)17(6)21(20)18(7)19-10-8-9-14(3)11-19/h13-14,16-21H,4,8-12H2,1-3,5-7H3
InChIKeyKKDYXTKPNNPATN-UHFFFAOYSA-N
MW290.54 g/mol
LogP6.57
Rot. Bonds3

About 2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane

2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane (PubChem CID 163712133) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane
PubChem CID163712133
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane
SMILESC=C1CC(C(C)C)C(C(C)C2CCCC(C)C2)C(C)C1C
InChIInChI=1S/C21H38/c1-13(2)20-12-15(4)16(5)17(6)21(20)18(7)19-10-8-9-14(3)11-19/h13-14,16-21H,4,8-12H2,1-3,5-7H3
InChIKeyKKDYXTKPNNPATN-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 56.57
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

(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
1-methyl-3-(3-methylbut-3-en-2-yl)cyclohexane
CID 139213261
1-(1-chloro-2-methylpropyl)-3-methylcyclohexane
CID 79298659
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
CID 142386797
(3-methylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65422554
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
CID 104991953
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
(1R)-1,3-dimethylcyclohexane
CID 12594306

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane?
The IUPAC name of 2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane (CID 163712133) is 2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane.
What is the SMILES notation for 2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane?
The canonical SMILES for 2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane is C=C1CC(C(C)C)C(C(C)C2CCCC(C)C2)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane?
The InChIKey is KKDYXTKPNNPATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-13(2)20-12-15(4)16(5)17(6)21(20)18(7)19-10-8-9-14(3)11-19/h13-14,16-21H,4,8-12H2,1-3,5-7H3.
What are the key properties of 2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane?
2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane has a molecular weight of 290.54 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[1-(3-methylcyclohexyl)ethyl]-1-methylidene-5-propan-2-ylcyclohexane is sourced from PubChem (CID 163712133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).