methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol

C29H65NO3 — CID 167675393

IUPACmethanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol
SMILESCC(C)C.CC(C)C.CC(C)C1CC(CO)CN(C)C1.CO.COCC1CCC(C(C)C)C1
InChIInChI=1S/C10H21NO.C10H20O.2C4H10.CH4O/c1-8(2)10-4-9(7-12)5-11(3)6-10;1-8(2)10-5-4-9(6-10)7-11-3;2*1-4(2)3;1-2/h8-10,12H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;2*4H,1-3H3;2H,1H3
InChIKeyUSUHOIYLSCRBCX-UHFFFAOYSA-N
MW475.84 g/mol
LogP6.84
Rot. Bonds5

About methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol

methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol (PubChem CID 167675393) has the molecular formula C29H65NO3 and a molecular weight of 475.84 g/mol. Its IUPAC name is methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol.

Molecular Properties

Compound Namemethanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol
PubChem CID167675393
Molecular FormulaC29H65NO3
Molecular Weight475.84 g/mol
Exact Mass475.50
IUPAC Namemethanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol
SMILESCC(C)C.CC(C)C.CC(C)C1CC(CO)CN(C)C1.CO.COCC1CCC(C(C)C)C1
InChIInChI=1S/C10H21NO.C10H20O.2C4H10.CH4O/c1-8(2)10-4-9(7-12)5-11(3)6-10;1-8(2)10-5-4-9(6-10)7-11-3;2*1-4(2)3;1-2/h8-10,12H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;2*4H,1-3H3;2H,1H3
InChIKeyUSUHOIYLSCRBCX-UHFFFAOYSA-N
XLogP6.84
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.84
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol?
The IUPAC name of methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol (CID 167675393) is methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol.
What is the SMILES notation for methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol?
The canonical SMILES for methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol is CC(C)C.CC(C)C.CC(C)C1CC(CO)CN(C)C1.CO.COCC1CCC(C(C)C)C1.
What is the InChIKey of methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol?
The InChIKey is USUHOIYLSCRBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C10H20O.2C4H10.CH4O/c1-8(2)10-4-9(7-12)5-11(3)6-10;1-8(2)10-5-4-9(6-10)7-11-3;2*1-4(2)3;1-2/h8-10,12H,4-7H2,1-3H3;8-10H,4-7H2,1-3H3;2*4H,1-3H3;2H,1H3.
What are the key properties of methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol?
methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol has a molecular weight of 475.84 g/mol, XLogP of 6.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-(methoxymethyl)-3-propan-2-ylcyclopentane;bis(2-methylpropane);(1-methyl-5-propan-2-ylpiperidin-3-yl)methanol is sourced from PubChem (CID 167675393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).