1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane

C22H40 — CID 142427618

IUPAC1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane
SMILESCC(C)CCC(C)C(C)CCC(C)C#CC1CCC(C)CC1
InChIInChI=1S/C22H40/c1-17(2)7-12-20(5)21(6)13-8-18(3)9-14-22-15-10-19(4)11-16-22/h17-22H,7-8,10-13,15-16H2,1-6H3
InChIKeyDJCIGIKWECRLPX-UHFFFAOYSA-N
MW304.56 g/mol
LogP6.94
Rot. Bonds7

About 1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane

1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane (PubChem CID 142427618) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane
PubChem CID142427618
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane
SMILESCC(C)CCC(C)C(C)CCC(C)C#CC1CCC(C)CC1
InChIInChI=1S/C22H40/c1-17(2)7-12-20(5)21(6)13-8-18(3)9-14-22-15-10-19(4)11-16-22/h17-22H,7-8,10-13,15-16H2,1-6H3
InChIKeyDJCIGIKWECRLPX-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(8-fluoro-3,6-dimethyloct-1-ynyl)-4-(4-methylcyclohexyl)cyclohexane
CID 143266143
1-methyl-4-[2-[4-(5-methylhexan-2-yl)cyclohexyl]ethynyl]cyclohexane
CID 145373315
N,2-dimethyl-N-[2-[4-(3-methyloct-1-ynyl)piperidin-1-yl]ethyl]propan-1-amine
CID 166800689
1-but-3-en-1-ynyl-4-methylcyclohexane
CID 142876021
1-(2,5-dimethylhexyl)-4-methylcyclohexane
CID 90937103
4-cyclopropylbut-3-yn-2-ol
CID 118008485
methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 160901887
1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane
CID 145356499
1-ethyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 19984734
5-methyl-1-(4-methylcyclohexyl)hexan-1-ol
CID 83158070
1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane
CID 144843979
N,5-dimethyl-1-(4-methylcyclohexyl)hexan-1-amine
CID 83161350

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane?
The IUPAC name of 1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane (CID 142427618) is 1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane?
The canonical SMILES for 1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane is CC(C)CCC(C)C(C)CCC(C)C#CC1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane?
The InChIKey is DJCIGIKWECRLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-17(2)7-12-20(5)21(6)13-8-18(3)9-14-22-15-10-19(4)11-16-22/h17-22H,7-8,10-13,15-16H2,1-6H3.
What are the key properties of 1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane?
1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane has a molecular weight of 304.56 g/mol, XLogP of 6.94, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane is sourced from PubChem (CID 142427618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).