4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane

C16H30O2 — CID 21025523

IUPAC4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane
SMILESCOC1(CC2CCOCC2)CCC(C(C)C)CC1
InChIInChI=1S/C16H30O2/c1-13(2)15-4-8-16(17-3,9-5-15)12-14-6-10-18-11-7-14/h13-15H,4-12H2,1-3H3
InChIKeyNJSZHGAJCBSYLU-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.03
Rot. Bonds4

About 4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane

4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane (PubChem CID 21025523) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane.

Molecular Properties

Compound Name4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane
PubChem CID21025523
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane
SMILESCOC1(CC2CCOCC2)CCC(C(C)C)CC1
InChIInChI=1S/C16H30O2/c1-13(2)15-4-8-16(17-3,9-5-15)12-14-6-10-18-11-7-14/h13-15H,4-12H2,1-3H3
InChIKeyNJSZHGAJCBSYLU-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane?
The IUPAC name of 4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane (CID 21025523) is 4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane.
What is the SMILES notation for 4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane?
The canonical SMILES for 4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane is COC1(CC2CCOCC2)CCC(C(C)C)CC1.
What is the InChIKey of 4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane?
The InChIKey is NJSZHGAJCBSYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-13(2)15-4-8-16(17-3,9-5-15)12-14-6-10-18-11-7-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane?
4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane has a molecular weight of 254.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]oxane is sourced from PubChem (CID 21025523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).