(1-methoxycyclobutyl)-(oxan-4-yl)methanol

C11H20O3 — CID 116710425

IUPAC(1-methoxycyclobutyl)-(oxan-4-yl)methanol
SMILESCOC1(C(O)C2CCOCC2)CCC1
InChIInChI=1S/C11H20O3/c1-13-11(5-2-6-11)10(12)9-3-7-14-8-4-9/h9-10,12H,2-8H2,1H3
InChIKeyWSHGZMXLTWIILQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.34
Rot. Bonds3

About (1-methoxycyclobutyl)-(oxan-4-yl)methanol

(1-methoxycyclobutyl)-(oxan-4-yl)methanol (PubChem CID 116710425) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(oxan-4-yl)methanol
PubChem CID116710425
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(1-methoxycyclobutyl)-(oxan-4-yl)methanol
SMILESCOC1(C(O)C2CCOCC2)CCC1
InChIInChI=1S/C11H20O3/c1-13-11(5-2-6-11)10(12)9-3-7-14-8-4-9/h9-10,12H,2-8H2,1H3
InChIKeyWSHGZMXLTWIILQ-UHFFFAOYSA-N
XLogP1.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
CID 116753889
cyclopropyl-(1-methoxycycloheptyl)methanol
CID 116755940
(3,5-dimethylcyclohexyl)-(4-methoxyoxan-4-yl)methanol
CID 116754065
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
CID 116753294
cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755683
1-(1-methoxycyclopentyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 104610994
(3,4-dimethylcyclohexyl)-(1-methoxycyclobutyl)methanol
CID 116710410
(1-ethoxycyclopentyl)-(oxan-3-yl)methanol
CID 107136224
(2-methylthiolan-2-yl)-(oxan-4-yl)methanol
CID 105097535
1-[hydroxy(oxan-4-yl)methyl]cycloheptan-1-ol
CID 103452199
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754417
1-(1-ethoxycyclopentyl)-2-(oxan-4-yl)ethanol
CID 116753033

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(oxan-4-yl)methanol?
The IUPAC name of (1-methoxycyclobutyl)-(oxan-4-yl)methanol (CID 116710425) is (1-methoxycyclobutyl)-(oxan-4-yl)methanol.
What is the SMILES notation for (1-methoxycyclobutyl)-(oxan-4-yl)methanol?
The canonical SMILES for (1-methoxycyclobutyl)-(oxan-4-yl)methanol is COC1(C(O)C2CCOCC2)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(oxan-4-yl)methanol?
The InChIKey is WSHGZMXLTWIILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-13-11(5-2-6-11)10(12)9-3-7-14-8-4-9/h9-10,12H,2-8H2,1H3.
What are the key properties of (1-methoxycyclobutyl)-(oxan-4-yl)methanol?
(1-methoxycyclobutyl)-(oxan-4-yl)methanol has a molecular weight of 200.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(oxan-4-yl)methanol is sourced from PubChem (CID 116710425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).