1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol

C15H22O4 — CID 115820856

IUPAC1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol
SMILESCc1cc(C(O)C2CCOC3(CCOCC3)C2)co1
InChIInChI=1S/C15H22O4/c1-11-8-13(10-18-11)14(16)12-2-5-19-15(9-12)3-6-17-7-4-15/h8,10,12,14,16H,2-7,9H2,1H3
InChIKeyMFPPYRXFHKUQGT-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.60
Rot. Bonds2

About 1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol

1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol (PubChem CID 115820856) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol.

Molecular Properties

Compound Name1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol
PubChem CID115820856
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol
SMILESCc1cc(C(O)C2CCOC3(CCOCC3)C2)co1
InChIInChI=1S/C15H22O4/c1-11-8-13(10-18-11)14(16)12-2-5-19-15(9-12)3-6-17-7-4-15/h8,10,12,14,16H,2-7,9H2,1H3
InChIKeyMFPPYRXFHKUQGT-UHFFFAOYSA-N
XLogP2.60
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(3-chloro-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823308
(4-bromo-5-methylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 102829795
(4-chloro-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 115823322
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(4,5-dibromofuran-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79902558
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 105113831
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(2,6-dichlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanol
CID 79898859
2,6-dioxaspiro[4.5]decan-9-yl-(4-ethylphenyl)methanol
CID 79899764
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295

Frequently Asked Questions

What is the IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol?
The IUPAC name of 1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol (CID 115820856) is 1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol.
What is the SMILES notation for 1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol?
The canonical SMILES for 1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol is Cc1cc(C(O)C2CCOC3(CCOCC3)C2)co1.
What is the InChIKey of 1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol?
The InChIKey is MFPPYRXFHKUQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-11-8-13(10-18-11)14(16)12-2-5-19-15(9-12)3-6-17-7-4-15/h8,10,12,14,16H,2-7,9H2,1H3.
What are the key properties of 1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol?
1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol has a molecular weight of 266.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylfuran-3-yl)methanol is sourced from PubChem (CID 115820856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).