2-(4-methyloxan-4-yl)ethanol

C8H16O2 — CID 130123530

IUPAC2-(4-methyloxan-4-yl)ethanol
SMILESCC1(CCO)CCOCC1
InChIInChI=1S/C8H16O2/c1-8(2-5-9)3-6-10-7-4-8/h9H,2-7H2,1H3
InChIKeySOZGUGQCDXXUOB-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.19
Rot. Bonds2

About 2-(4-methyloxan-4-yl)ethanol

2-(4-methyloxan-4-yl)ethanol (PubChem CID 130123530) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-(4-methyloxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(4-methyloxan-4-yl)ethanol
PubChem CID130123530
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-(4-methyloxan-4-yl)ethanol
SMILESCC1(CCO)CCOCC1
InChIInChI=1S/C8H16O2/c1-8(2-5-9)3-6-10-7-4-8/h9H,2-7H2,1H3
InChIKeySOZGUGQCDXXUOB-UHFFFAOYSA-N
XLogP1.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Pentanediol, 3,3-diethyl-
CID 3039726
5-(5-Hydroxy-4,4-dimethylpentyloxy)-2,2-dimethylpentan-1-ol
CID 11791485
(4-Methyloxan-4-yl)methanol
CID 59708470
(3-Methyloxan-3-yl)methanol
CID 59824639
(4-Ethyloxan-4-yl)methanol
CID 66024089
[3-(Methoxymethyl)oxan-3-yl]methanol
CID 105794728
[4-(Methoxymethyl)oxan-4-yl]methanol
CID 121599155
Ywbcsrddqzonfn-uhfffaoysa-
CID 11137622
5-Methoxy-2,2-dimethylpentan-1-ol
CID 66026499
3-(2-Hydroxyethyl)-3-methylpentane-1,5-diol
CID 13088375
3-Ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 14795028
(4-Tert-butyloxan-4-yl)methanol
CID 140941612

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyloxan-4-yl)ethanol?
The IUPAC name of 2-(4-methyloxan-4-yl)ethanol (CID 130123530) is 2-(4-methyloxan-4-yl)ethanol.
What is the SMILES notation for 2-(4-methyloxan-4-yl)ethanol?
The canonical SMILES for 2-(4-methyloxan-4-yl)ethanol is CC1(CCO)CCOCC1.
What is the InChIKey of 2-(4-methyloxan-4-yl)ethanol?
The InChIKey is SOZGUGQCDXXUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-8(2-5-9)3-6-10-7-4-8/h9H,2-7H2,1H3.
What are the key properties of 2-(4-methyloxan-4-yl)ethanol?
2-(4-methyloxan-4-yl)ethanol has a molecular weight of 144.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyloxan-4-yl)ethanol is sourced from PubChem (CID 130123530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).