6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol

C16H24O3 — CID 10801579

IUPAC6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol
SMILESC=C1CCC2(C)C(O)=C(OC(C)C)C(OC(C)C)=C12
InChIInChI=1S/C16H24O3/c1-9(2)18-13-12-11(5)7-8-16(12,6)15(17)14(13)19-10(3)4/h9-10,17H,5,7-8H2,1-4,6H3
InChIKeyVSLKIIDXSQAAPK-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.23
Rot. Bonds4

About 6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol

6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol (PubChem CID 10801579) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol.

Molecular Properties

Compound Name6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol
PubChem CID10801579
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol
SMILESC=C1CCC2(C)C(O)=C(OC(C)C)C(OC(C)C)=C12
InChIInChI=1S/C16H24O3/c1-9(2)18-13-12-11(5)7-8-16(12,6)15(17)14(13)19-10(3)4/h9-10,17H,5,7-8H2,1-4,6H3
InChIKeyVSLKIIDXSQAAPK-UHFFFAOYSA-N
XLogP4.23
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol?
The IUPAC name of 6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol (CID 10801579) is 6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol.
What is the SMILES notation for 6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol?
The canonical SMILES for 6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol is C=C1CCC2(C)C(O)=C(OC(C)C)C(OC(C)C)=C12.
What is the InChIKey of 6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol?
The InChIKey is VSLKIIDXSQAAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-9(2)18-13-12-11(5)7-8-16(12,6)15(17)14(13)19-10(3)4/h9-10,17H,5,7-8H2,1-4,6H3.
What are the key properties of 6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol?
6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol has a molecular weight of 264.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methyl-4-methylidene-2,3-di(propan-2-yloxy)-5,6-dihydropentalen-1-ol is sourced from PubChem (CID 10801579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).