1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane

C18H26O — CID 91505925

IUPAC1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane
SMILESC#CC1(COCC2(C#C)CCCCC2)CCCCC1
InChIInChI=1S/C18H26O/c1-3-17(11-7-5-8-12-17)15-19-16-18(4-2)13-9-6-10-14-18/h1-2H,5-16H2
InChIKeyFIXSJMSJNJGUJR-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.17
Rot. Bonds4

About 1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane

1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane (PubChem CID 91505925) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane.

Molecular Properties

Compound Name1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane
PubChem CID91505925
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane
SMILESC#CC1(COCC2(C#C)CCCCC2)CCCCC1
InChIInChI=1S/C18H26O/c1-3-17(11-7-5-8-12-17)15-19-16-18(4-2)13-9-6-10-14-18/h1-2H,5-16H2
InChIKeyFIXSJMSJNJGUJR-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethynyl-1-(methoxymethyl)cyclohexane
CID 165810283
Bis-[(1-methyl-cyclohexyl)-methyl] ether
CID 22151670
1,1-Bis(prop-2-ynoxymethyl)cyclohexane
CID 124152503
1-Ethynyl-4-[(4-ethynylcyclohexyl)methoxymethyl]cyclohexane
CID 167529390
9-Ethynyl-3-oxaspiro[5.5]undecane
CID 169787011
1-(Pent-4-ynoxymethyl)adamantane
CID 16106730
1-(Hex-5-ynoxymethyl)adamantane
CID 45379888

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane?
The IUPAC name of 1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane (CID 91505925) is 1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane.
What is the SMILES notation for 1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane?
The canonical SMILES for 1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane is C#CC1(COCC2(C#C)CCCCC2)CCCCC1.
What is the InChIKey of 1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane?
The InChIKey is FIXSJMSJNJGUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-3-17(11-7-5-8-12-17)15-19-16-18(4-2)13-9-6-10-14-18/h1-2H,5-16H2.
What are the key properties of 1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane?
1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane has a molecular weight of 258.40 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-1-[(1-ethynylcyclohexyl)methoxymethyl]cyclohexane is sourced from PubChem (CID 91505925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).