2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol

C17H24O3 — CID 79899764

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)C2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C17H24O3/c1-2-13-3-5-14(6-4-13)16(18)15-7-9-20-17(11-15)8-10-19-12-17/h3-6,15-16,18H,2,7-12H2,1H3
InChIKeyNRZMERSCBJYVJG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.87
Rot. Bonds3

About 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol

2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol (PubChem CID 79899764) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
PubChem CID79899764
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
SMILESCCc1ccc(C(O)C2CCOC3(CCOC3)C2)cc1
InChIInChI=1S/C17H24O3/c1-2-13-3-5-14(6-4-13)16(18)15-7-9-20-17(11-15)8-10-19-12-17/h3-6,15-16,18H,2,7-12H2,1H3
InChIKeyNRZMERSCBJYVJG-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823322
(4-bromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79900364
4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]benzonitrile
CID 115481042
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-ethylpentane-1,2-diol
CID 103459636
(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823308
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271
N-[(4-ethylphenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 103894107
2-(3,4-dichlorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanol
CID 79909984
2,6-dioxaspiro[4.5]decan-9-yl-(3-ethylimidazol-4-yl)methanol
CID 79912400
(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859419
(2,5-dibromophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823298

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol (CID 79899764) is 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol is CCc1ccc(C(O)C2CCOC3(CCOC3)C2)cc1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol?
The InChIKey is NRZMERSCBJYVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-13-3-5-14(6-4-13)16(18)15-7-9-20-17(11-15)8-10-19-12-17/h3-6,15-16,18H,2,7-12H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol?
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol has a molecular weight of 276.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol is sourced from PubChem (CID 79899764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).