1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane

C15H26 — CID 144843979

IUPAC1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane
SMILESC#CC(C)CCC(C)C1CCC(C)CC1
InChIInChI=1S/C15H26/c1-5-12(2)6-9-14(4)15-10-7-13(3)8-11-15/h1,12-15H,6-11H2,2-4H3
InChIKeyKYZXIUMHJLUGQD-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.50
Rot. Bonds4

About 1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane

1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane (PubChem CID 144843979) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane.

Molecular Properties

Compound Name1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane
PubChem CID144843979
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane
SMILESC#CC(C)CCC(C)C1CCC(C)CC1
InChIInChI=1S/C15H26/c1-5-12(2)6-9-14(4)15-10-7-13(3)8-11-15/h1,12-15H,6-11H2,2-4H3
InChIKeyKYZXIUMHJLUGQD-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.50
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-methyl-4-[2-[4-(5-methylhexan-2-yl)cyclohexyl]ethynyl]cyclohexane
CID 145373315
3-(4-methylcyclohexyl)butan-1-amine
CID 81013064
1-butan-2-yl-4-methylcyclohexane
CID 20676481
(2R,6R)-6-(4-methylcyclohexyl)-N-propan-2-ylheptan-2-amine
CID 144585171
bis[3-(4-methylcyclohexyl)butyl] butanedioate
CID 69428277
(4S)-7-cyclopropyl-2-methyloctan-4-amine
CID 158877402
3-(4-methylcyclohexyl)butanal
CID 21290463
3-(4-methylcyclohexyl)pentan-2-ol
CID 79422150
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane
CID 123406141
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane?
The IUPAC name of 1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane (CID 144843979) is 1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane.
What is the SMILES notation for 1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane?
The canonical SMILES for 1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane is C#CC(C)CCC(C)C1CCC(C)CC1.
What is the InChIKey of 1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane?
The InChIKey is KYZXIUMHJLUGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-5-12(2)6-9-14(4)15-10-7-13(3)8-11-15/h1,12-15H,6-11H2,2-4H3.
What are the key properties of 1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane?
1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane has a molecular weight of 206.37 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(5-methylhept-6-yn-2-yl)cyclohexane is sourced from PubChem (CID 144843979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).