2,3-dimethylidene-6-propan-2-yloxan-4-ol

C10H16O2 — CID 89295189

IUPAC2,3-dimethylidene-6-propan-2-yloxan-4-ol
SMILESC=C1OC(C(C)C)CC(O)C1=C
InChIInChI=1S/C10H16O2/c1-6(2)10-5-9(11)7(3)8(4)12-10/h6,9-11H,3-5H2,1-2H3
InChIKeyCVOBRFJANPYYEM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.86
Rot. Bonds1

About 2,3-dimethylidene-6-propan-2-yloxan-4-ol

2,3-dimethylidene-6-propan-2-yloxan-4-ol (PubChem CID 89295189) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,3-dimethylidene-6-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name2,3-dimethylidene-6-propan-2-yloxan-4-ol
PubChem CID89295189
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,3-dimethylidene-6-propan-2-yloxan-4-ol
SMILESC=C1OC(C(C)C)CC(O)C1=C
InChIInChI=1S/C10H16O2/c1-6(2)10-5-9(11)7(3)8(4)12-10/h6,9-11H,3-5H2,1-2H3
InChIKeyCVOBRFJANPYYEM-UHFFFAOYSA-N
XLogP1.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylidene-6-propan-2-yloxan-4-ol?
The IUPAC name of 2,3-dimethylidene-6-propan-2-yloxan-4-ol (CID 89295189) is 2,3-dimethylidene-6-propan-2-yloxan-4-ol.
What is the SMILES notation for 2,3-dimethylidene-6-propan-2-yloxan-4-ol?
The canonical SMILES for 2,3-dimethylidene-6-propan-2-yloxan-4-ol is C=C1OC(C(C)C)CC(O)C1=C.
What is the InChIKey of 2,3-dimethylidene-6-propan-2-yloxan-4-ol?
The InChIKey is CVOBRFJANPYYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)10-5-9(11)7(3)8(4)12-10/h6,9-11H,3-5H2,1-2H3.
What are the key properties of 2,3-dimethylidene-6-propan-2-yloxan-4-ol?
2,3-dimethylidene-6-propan-2-yloxan-4-ol has a molecular weight of 168.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylidene-6-propan-2-yloxan-4-ol is sourced from PubChem (CID 89295189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).