ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane

C17H26O3 — CID 143382520

IUPACethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
SMILESCC.c1ccc(COC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H20O3.C2H6/c1-2-4-13(5-3-1)12-16-14-6-8-15(9-7-14)17-10-11-18-15;1-2/h1-5,14H,6-12H2;1-2H3
InChIKeyPBFZCRMTOKETID-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.92
Rot. Bonds3

About ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane

ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane (PubChem CID 143382520) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Nameethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
PubChem CID143382520
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Nameethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane
SMILESCC.c1ccc(COC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H20O3.C2H6/c1-2-4-13(5-3-1)12-16-14-6-8-15(9-7-14)17-10-11-18-15;1-2/h1-5,14H,6-12H2;1-2H3
InChIKeyPBFZCRMTOKETID-UHFFFAOYSA-N
XLogP3.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenylmethoxyoxane
CID 66554133
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
azane;cyclopentyloxymethylbenzene
CID 69411306
benzyl 4-(1,4-dioxaspiro[4.5]decan-8-yloxy)benzoate
CID 66761730
3-bromo-5-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine
CID 104797401
1-(1-methoxy-4-phenylmethoxycyclohexyl)propan-1-amine
CID 58380816
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[(2S,4R)-1-hydroperoxy-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxycyclohexyl]methanol
CID 139257567
5-bromo-2-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)pyridine
CID 104797402
4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
CID 86820394
3-(1,4-dioxaspiro[4.5]decan-8-yloxymethyl)-4-methyl-1,2,5-oxadiazole
CID 113414147
benzyl N-[(7R,8S)-7-(methylamino)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
CID 58208830

Frequently Asked Questions

What is the IUPAC name of ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane?
The IUPAC name of ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane (CID 143382520) is ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane is CC.c1ccc(COC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane?
The InChIKey is PBFZCRMTOKETID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3.C2H6/c1-2-4-13(5-3-1)12-16-14-6-8-15(9-7-14)17-10-11-18-15;1-2/h1-5,14H,6-12H2;1-2H3.
What are the key properties of ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane?
ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane has a molecular weight of 278.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-phenylmethoxy-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 143382520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).