10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol

C16H29NO2 — CID 165491366

IUPAC10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol
SMILESCC1CCN(C2CC(O)CCC23CCCC3)CCO1
InChIInChI=1S/C16H29NO2/c1-13-5-9-17(10-11-19-13)15-12-14(18)4-8-16(15)6-2-3-7-16/h13-15,18H,2-12H2,1H3
InChIKeyRJQZRDCAJLJCRA-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.57
Rot. Bonds1

About 10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol

10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol (PubChem CID 165491366) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol
PubChem CID165491366
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol
SMILESCC1CCN(C2CC(O)CCC23CCCC3)CCO1
InChIInChI=1S/C16H29NO2/c1-13-5-9-17(10-11-19-13)15-12-14(18)4-8-16(15)6-2-3-7-16/h13-15,18H,2-12H2,1H3
InChIKeyRJQZRDCAJLJCRA-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol?
The IUPAC name of 10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol (CID 165491366) is 10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol.
What is the SMILES notation for 10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol?
The canonical SMILES for 10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol is CC1CCN(C2CC(O)CCC23CCCC3)CCO1.
What is the InChIKey of 10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol?
The InChIKey is RJQZRDCAJLJCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13-5-9-17(10-11-19-13)15-12-14(18)4-8-16(15)6-2-3-7-16/h13-15,18H,2-12H2,1H3.
What are the key properties of 10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol?
10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol has a molecular weight of 267.41 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-methyl-1,4-oxazepan-4-yl)spiro[4.5]decan-8-ol is sourced from PubChem (CID 165491366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).