[3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol

C12H24O2 — CID 114535596

IUPAC[3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol
SMILESCCC(CC)CC1(CO)CCOC1C
InChIInChI=1S/C12H24O2/c1-4-11(5-2)8-12(9-13)6-7-14-10(12)3/h10-11,13H,4-9H2,1-3H3
InChIKeyNSXXVQOOWGPDLH-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds5

About [3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol

[3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol (PubChem CID 114535596) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is [3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol
PubChem CID114535596
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name[3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol
SMILESCCC(CC)CC1(CO)CCOC1C
InChIInChI=1S/C12H24O2/c1-4-11(5-2)8-12(9-13)6-7-14-10(12)3/h10-11,13H,4-9H2,1-3H3
InChIKeyNSXXVQOOWGPDLH-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol?
The IUPAC name of [3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol (CID 114535596) is [3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol.
What is the SMILES notation for [3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol?
The canonical SMILES for [3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol is CCC(CC)CC1(CO)CCOC1C.
What is the InChIKey of [3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol?
The InChIKey is NSXXVQOOWGPDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-11(5-2)8-12(9-13)6-7-14-10(12)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of [3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol?
[3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylbutyl)-2-methyloxolan-3-yl]methanol is sourced from PubChem (CID 114535596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).