(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

C14H20O3 — CID 113453307

IUPAC(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCc1occc1C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H20O3/c1-10-12(4-7-16-10)13(15)11-3-8-17-14(9-11)5-2-6-14/h4,7,11,13,15H,2-3,5-6,8-9H2,1H3
InChIKeyPXNVNAFWIHGEEO-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.97
Rot. Bonds2

About (2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol

(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (PubChem CID 113453307) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
PubChem CID113453307
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
SMILESCc1occc1C(O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H20O3/c1-10-12(4-7-16-10)13(15)11-3-8-17-14(9-11)5-2-6-14/h4,7,11,13,15H,2-3,5-6,8-9H2,1H3
InChIKeyPXNVNAFWIHGEEO-UHFFFAOYSA-N
XLogP2.97
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316
(2-methylfuran-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104789677
(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 104800788
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(2-methylfuran-3-yl)-(oxolan-3-yl)methanol
CID 104789574
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(2,4-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 107947647
(2-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823060
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104790003
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The IUPAC name of (2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol (CID 113453307) is (2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol.
What is the SMILES notation for (2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The canonical SMILES for (2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is Cc1occc1C(O)C1CCOC2(CCC2)C1.
What is the InChIKey of (2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
The InChIKey is PXNVNAFWIHGEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-12(4-7-16-10)13(15)11-3-8-17-14(9-11)5-2-6-14/h4,7,11,13,15H,2-3,5-6,8-9H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol?
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol has a molecular weight of 236.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol is sourced from PubChem (CID 113453307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).