4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol

C17H32O3 — CID 156542299

IUPAC4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol
SMILESCOC1CCC(CCCC2CCC(O)CC2)CC1OC
InChIInChI=1S/C17H32O3/c1-19-16-11-8-14(12-17(16)20-2)5-3-4-13-6-9-15(18)10-7-13/h13-18H,3-12H2,1-2H3
InChIKeyKQFYWWIMDIUUPV-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.54
Rot. Bonds6

About 4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol

4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol (PubChem CID 156542299) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol
PubChem CID156542299
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol
SMILESCOC1CCC(CCCC2CCC(O)CC2)CC1OC
InChIInChI=1S/C17H32O3/c1-19-16-11-8-14(12-17(16)20-2)5-3-4-13-6-9-15(18)10-7-13/h13-18H,3-12H2,1-2H3
InChIKeyKQFYWWIMDIUUPV-UHFFFAOYSA-N
XLogP3.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol?
The IUPAC name of 4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol (CID 156542299) is 4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol is COC1CCC(CCCC2CCC(O)CC2)CC1OC.
What is the InChIKey of 4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol?
The InChIKey is KQFYWWIMDIUUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-19-16-11-8-14(12-17(16)20-2)5-3-4-13-6-9-15(18)10-7-13/h13-18H,3-12H2,1-2H3.
What are the key properties of 4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol?
4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol has a molecular weight of 284.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxycyclohexyl)propyl]cyclohexan-1-ol is sourced from PubChem (CID 156542299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).