[4-(2-methylprop-2-enyl)oxan-4-yl]methanol

C10H18O2 — CID 126971998

IUPAC[4-(2-methylprop-2-enyl)oxan-4-yl]methanol
SMILESC=C(C)CC1(CO)CCOCC1
InChIInChI=1S/C10H18O2/c1-9(2)7-10(8-11)3-5-12-6-4-10/h11H,1,3-8H2,2H3
InChIKeyBQZOTUVAPXERPZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.74
Rot. Bonds3

About [4-(2-methylprop-2-enyl)oxan-4-yl]methanol

[4-(2-methylprop-2-enyl)oxan-4-yl]methanol (PubChem CID 126971998) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [4-(2-methylprop-2-enyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-methylprop-2-enyl)oxan-4-yl]methanol
PubChem CID126971998
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[4-(2-methylprop-2-enyl)oxan-4-yl]methanol
SMILESC=C(C)CC1(CO)CCOCC1
InChIInChI=1S/C10H18O2/c1-9(2)7-10(8-11)3-5-12-6-4-10/h11H,1,3-8H2,2H3
InChIKeyBQZOTUVAPXERPZ-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylprop-2-enyl)oxan-4-yl]methanol?
The IUPAC name of [4-(2-methylprop-2-enyl)oxan-4-yl]methanol (CID 126971998) is [4-(2-methylprop-2-enyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2-methylprop-2-enyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(2-methylprop-2-enyl)oxan-4-yl]methanol is C=C(C)CC1(CO)CCOCC1.
What is the InChIKey of [4-(2-methylprop-2-enyl)oxan-4-yl]methanol?
The InChIKey is BQZOTUVAPXERPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)7-10(8-11)3-5-12-6-4-10/h11H,1,3-8H2,2H3.
What are the key properties of [4-(2-methylprop-2-enyl)oxan-4-yl]methanol?
[4-(2-methylprop-2-enyl)oxan-4-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylprop-2-enyl)oxan-4-yl]methanol is sourced from PubChem (CID 126971998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).