(4-methylidene-2-propan-2-yloxolan-3-yl)methanol

C9H16O2 — CID 85238686

IUPAC(4-methylidene-2-propan-2-yloxolan-3-yl)methanol
SMILESC=C1COC(C(C)C)C1CO
InChIInChI=1S/C9H16O2/c1-6(2)9-8(4-10)7(3)5-11-9/h6,8-10H,3-5H2,1-2H3
InChIKeyXWZBLPGFIWIGFE-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.21
Rot. Bonds2

About (4-methylidene-2-propan-2-yloxolan-3-yl)methanol

(4-methylidene-2-propan-2-yloxolan-3-yl)methanol (PubChem CID 85238686) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (4-methylidene-2-propan-2-yloxolan-3-yl)methanol.

Molecular Properties

Compound Name(4-methylidene-2-propan-2-yloxolan-3-yl)methanol
PubChem CID85238686
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(4-methylidene-2-propan-2-yloxolan-3-yl)methanol
SMILESC=C1COC(C(C)C)C1CO
InChIInChI=1S/C9H16O2/c1-6(2)9-8(4-10)7(3)5-11-9/h6,8-10H,3-5H2,1-2H3
InChIKeyXWZBLPGFIWIGFE-UHFFFAOYSA-N
XLogP1.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.21
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-methylidene-2-propan-2-yloxolan-3-yl)methanol?
The IUPAC name of (4-methylidene-2-propan-2-yloxolan-3-yl)methanol (CID 85238686) is (4-methylidene-2-propan-2-yloxolan-3-yl)methanol.
What is the SMILES notation for (4-methylidene-2-propan-2-yloxolan-3-yl)methanol?
The canonical SMILES for (4-methylidene-2-propan-2-yloxolan-3-yl)methanol is C=C1COC(C(C)C)C1CO.
What is the InChIKey of (4-methylidene-2-propan-2-yloxolan-3-yl)methanol?
The InChIKey is XWZBLPGFIWIGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)9-8(4-10)7(3)5-11-9/h6,8-10H,3-5H2,1-2H3.
What are the key properties of (4-methylidene-2-propan-2-yloxolan-3-yl)methanol?
(4-methylidene-2-propan-2-yloxolan-3-yl)methanol has a molecular weight of 156.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidene-2-propan-2-yloxolan-3-yl)methanol is sourced from PubChem (CID 85238686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).