ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol

C16H24O3 — CID 91262908

IUPACethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC.OC1(c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C14H18O3.C2H6/c15-13(12-4-2-1-3-5-12)6-8-14(9-7-13)16-10-11-17-14;1-2/h1-5,15H,6-11H2;1-2H3
InChIKeyYAVRCQKVLDIAJT-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.22
Rot. Bonds1

About ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol

ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 91262908) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Nameethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID91262908
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Nameethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC.OC1(c2ccccc2)CCC2(CC1)OCCO2
InChIInChI=1S/C14H18O3.C2H6/c15-13(12-4-2-1-3-5-12)6-8-14(9-7-13)16-10-11-17-14;1-2/h1-5,15H,6-11H2;1-2H3
InChIKeyYAVRCQKVLDIAJT-UHFFFAOYSA-N
XLogP3.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol (CID 91262908) is ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol is CC.OC1(c2ccccc2)CCC2(CC1)OCCO2.
What is the InChIKey of ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is YAVRCQKVLDIAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3.C2H6/c15-13(12-4-2-1-3-5-12)6-8-14(9-7-13)16-10-11-17-14;1-2/h1-5,15H,6-11H2;1-2H3.
What are the key properties of ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol?
ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 264.37 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-phenyl-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 91262908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).