1,4-bis(propan-2-yloxymethyl)cyclohexane

C14H28O2 — CID 18739268

IUPAC1,4-bis(propan-2-yloxymethyl)cyclohexane
SMILESCC(C)OCC1CCC(COC(C)C)CC1
InChIInChI=1S/C14H28O2/c1-11(2)15-9-13-5-7-14(8-6-13)10-16-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeySLENOLQGWQMIFD-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.64
Rot. Bonds6

About 1,4-bis(propan-2-yloxymethyl)cyclohexane

1,4-bis(propan-2-yloxymethyl)cyclohexane (PubChem CID 18739268) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,4-bis(propan-2-yloxymethyl)cyclohexane.

Molecular Properties

Compound Name1,4-bis(propan-2-yloxymethyl)cyclohexane
PubChem CID18739268
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1,4-bis(propan-2-yloxymethyl)cyclohexane
SMILESCC(C)OCC1CCC(COC(C)C)CC1
InChIInChI=1S/C14H28O2/c1-11(2)15-9-13-5-7-14(8-6-13)10-16-12(3)4/h11-14H,5-10H2,1-4H3
InChIKeySLENOLQGWQMIFD-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(propan-2-yloxymethyl)cyclohexane?
The IUPAC name of 1,4-bis(propan-2-yloxymethyl)cyclohexane (CID 18739268) is 1,4-bis(propan-2-yloxymethyl)cyclohexane.
What is the SMILES notation for 1,4-bis(propan-2-yloxymethyl)cyclohexane?
The canonical SMILES for 1,4-bis(propan-2-yloxymethyl)cyclohexane is CC(C)OCC1CCC(COC(C)C)CC1.
What is the InChIKey of 1,4-bis(propan-2-yloxymethyl)cyclohexane?
The InChIKey is SLENOLQGWQMIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)15-9-13-5-7-14(8-6-13)10-16-12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,4-bis(propan-2-yloxymethyl)cyclohexane?
1,4-bis(propan-2-yloxymethyl)cyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(propan-2-yloxymethyl)cyclohexane is sourced from PubChem (CID 18739268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).