1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane

C20H36O2 — CID 172736689

IUPAC1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane
SMILESCC1(C)CCC(C)(OC2CCCC2)C(C)(OC2CCCC2)C1
InChIInChI=1S/C20H36O2/c1-18(2)13-14-19(3,21-16-9-5-6-10-16)20(4,15-18)22-17-11-7-8-12-17/h16-17H,5-15H2,1-4H3
InChIKeyLEOXKRYNCLQJJN-UHFFFAOYSA-N
MW308.51 g/mol
LogP5.63
Rot. Bonds4

About 1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane

1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane (PubChem CID 172736689) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane.

Molecular Properties

Compound Name1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane
PubChem CID172736689
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane
SMILESCC1(C)CCC(C)(OC2CCCC2)C(C)(OC2CCCC2)C1
InChIInChI=1S/C20H36O2/c1-18(2)13-14-19(3,21-16-9-5-6-10-16)20(4,15-18)22-17-11-7-8-12-17/h16-17H,5-15H2,1-4H3
InChIKeyLEOXKRYNCLQJJN-UHFFFAOYSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane?
The IUPAC name of 1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane (CID 172736689) is 1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane.
What is the SMILES notation for 1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane?
The canonical SMILES for 1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane is CC1(C)CCC(C)(OC2CCCC2)C(C)(OC2CCCC2)C1.
What is the InChIKey of 1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane?
The InChIKey is LEOXKRYNCLQJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-18(2)13-14-19(3,21-16-9-5-6-10-16)20(4,15-18)22-17-11-7-8-12-17/h16-17H,5-15H2,1-4H3.
What are the key properties of 1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane?
1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane has a molecular weight of 308.51 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclopentyloxy-1,2,4,4-tetramethylcyclohexane is sourced from PubChem (CID 172736689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).