(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

C16H24O3 — CID 104800788

IUPAC(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESCc1ccoc1C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H24O3/c1-12-5-9-18-15(12)14(17)13-6-10-19-16(11-13)7-3-2-4-8-16/h5,9,13-14,17H,2-4,6-8,10-11H2,1H3
InChIKeyMNMDIMJTFOAWCS-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.75
Rot. Bonds2

About (3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol

(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (PubChem CID 104800788) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
PubChem CID104800788
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
SMILESCc1ccoc1C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H24O3/c1-12-5-9-18-15(12)14(17)13-6-10-19-16(11-13)7-3-2-4-8-16/h5,9,13-14,17H,2-4,6-8,10-11H2,1H3
InChIKeyMNMDIMJTFOAWCS-UHFFFAOYSA-N
XLogP3.75
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 104800791
(3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 106886310
N-methyl-1-(3-methylfuran-2-yl)-1-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 104804989
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(3-methylfuran-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 104804592
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(2,5-dimethylthiophen-3-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912363

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The IUPAC name of (3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol (CID 104800788) is (3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol.
What is the SMILES notation for (3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The canonical SMILES for (3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is Cc1ccoc1C(O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
The InChIKey is MNMDIMJTFOAWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-12-5-9-18-15(12)14(17)13-6-10-19-16(11-13)7-3-2-4-8-16/h5,9,13-14,17H,2-4,6-8,10-11H2,1H3.
What are the key properties of (3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol?
(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol has a molecular weight of 264.36 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol is sourced from PubChem (CID 104800788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).