(1R)-1-ethynyl-2-methylcyclohexane

C9H14 — CID 145137391

IUPAC(1R)-1-ethynyl-2-methylcyclohexane
SMILESC#C[C@@H]1CCCCC1C
InChIInChI=1S/C9H14/c1-3-9-7-5-4-6-8(9)2/h1,8-9H,4-7H2,2H3/t8?,9-/m1/s1
InChIKeyANWHWCJIZORFOP-YGPZHTELSA-N
MW122.21 g/mol
LogP2.45
Rot. Bonds

About (1R)-1-ethynyl-2-methylcyclohexane

(1R)-1-ethynyl-2-methylcyclohexane (PubChem CID 145137391) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (1R)-1-ethynyl-2-methylcyclohexane.

Molecular Properties

Compound Name(1R)-1-ethynyl-2-methylcyclohexane
PubChem CID145137391
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(1R)-1-ethynyl-2-methylcyclohexane
SMILESC#C[C@@H]1CCCCC1C
InChIInChI=1S/C9H14/c1-3-9-7-5-4-6-8(9)2/h1,8-9H,4-7H2,2H3/t8?,9-/m1/s1
InChIKeyANWHWCJIZORFOP-YGPZHTELSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.45
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

cis-(1S,2R)-2-ethynylcyclohexan-1-ol
CID 11469076
1-ethynyl-2,3-dimethylcyclopentane
CID 147716049
cis-(1S,2S)-2-methylcyclopentane-1-carbonitrile;ethane
CID 167444944
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcycloicosane
CID 123296856
1,2-dimethylcyclohexane;vanadium
CID 142004480
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
1,2,3-trimethylcycloheptane
CID 54005509
CID 58060881
CID 58060881
1,2-dimethylcyclohexane;methane;molecular iodine
CID 159309824
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712

Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethynyl-2-methylcyclohexane?
The IUPAC name of (1R)-1-ethynyl-2-methylcyclohexane (CID 145137391) is (1R)-1-ethynyl-2-methylcyclohexane.
What is the SMILES notation for (1R)-1-ethynyl-2-methylcyclohexane?
The canonical SMILES for (1R)-1-ethynyl-2-methylcyclohexane is C#C[C@@H]1CCCCC1C.
What is the InChIKey of (1R)-1-ethynyl-2-methylcyclohexane?
The InChIKey is ANWHWCJIZORFOP-YGPZHTELSA-N. The full InChI is InChI=1S/C9H14/c1-3-9-7-5-4-6-8(9)2/h1,8-9H,4-7H2,2H3/t8?,9-/m1/s1.
What are the key properties of (1R)-1-ethynyl-2-methylcyclohexane?
(1R)-1-ethynyl-2-methylcyclohexane has a molecular weight of 122.21 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethynyl-2-methylcyclohexane is sourced from PubChem (CID 145137391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).