(1-cyclohexyl-1-pentoxyethyl)cyclohexane

C19H36O — CID 154983829

IUPAC(1-cyclohexyl-1-pentoxyethyl)cyclohexane
SMILESCCCCCOC(C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36O/c1-3-4-11-16-20-19(2,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-18H,3-16H2,1-2H3
InChIKeyHRARVQIGYVNFDC-UHFFFAOYSA-N
MW280.50 g/mol
LogP6.11
Rot. Bonds7

About (1-cyclohexyl-1-pentoxyethyl)cyclohexane

(1-cyclohexyl-1-pentoxyethyl)cyclohexane (PubChem CID 154983829) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is (1-cyclohexyl-1-pentoxyethyl)cyclohexane.

Molecular Properties

Compound Name(1-cyclohexyl-1-pentoxyethyl)cyclohexane
PubChem CID154983829
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name(1-cyclohexyl-1-pentoxyethyl)cyclohexane
SMILESCCCCCOC(C)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H36O/c1-3-4-11-16-20-19(2,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-18H,3-16H2,1-2H3
InChIKeyHRARVQIGYVNFDC-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclohexyloctan-2-yloxy)octan-2-ylcyclohexane
CID 139747776
6-cyclohexylundecan-6-ylcyclohexane
CID 140522686
2-propoxybutan-2-ylcyclopentane
CID 158420288
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
2,3-dimethyloctan-2-ylcyclohexane;ethane
CID 143333378
(1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane
CID 152602584
(1,1-diethoxy-2-methyldecyl)cyclohexane
CID 151955749
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
(1-cyclopentyl-1-methoxyethyl)cyclopentane
CID 70648632
3-cyclohexylnonan-3-ylphosphane
CID 174798619
dipentyl cyclohexane-1,2-dicarboxylate
CID 54463206

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-1-pentoxyethyl)cyclohexane?
The IUPAC name of (1-cyclohexyl-1-pentoxyethyl)cyclohexane (CID 154983829) is (1-cyclohexyl-1-pentoxyethyl)cyclohexane.
What is the SMILES notation for (1-cyclohexyl-1-pentoxyethyl)cyclohexane?
The canonical SMILES for (1-cyclohexyl-1-pentoxyethyl)cyclohexane is CCCCCOC(C)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-1-pentoxyethyl)cyclohexane?
The InChIKey is HRARVQIGYVNFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O/c1-3-4-11-16-20-19(2,17-12-7-5-8-13-17)18-14-9-6-10-15-18/h17-18H,3-16H2,1-2H3.
What are the key properties of (1-cyclohexyl-1-pentoxyethyl)cyclohexane?
(1-cyclohexyl-1-pentoxyethyl)cyclohexane has a molecular weight of 280.50 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-1-pentoxyethyl)cyclohexane is sourced from PubChem (CID 154983829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).