4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one

C19H24O3 — CID 59858087

IUPAC4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one
SMILESCC(=O)CCC1(C)CCc2cc(O)c3c(c2O1)C1CCC3C1
InChIInChI=1S/C19H24O3/c1-11(20)5-7-19(2)8-6-14-10-15(21)16-12-3-4-13(9-12)17(16)18(14)22-19/h10,12-13,21H,3-9H2,1-2H3
InChIKeyKDUJVRUBXUXKPD-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.21
Rot. Bonds3

About 4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one

4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one (PubChem CID 59858087) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one.

Molecular Properties

Compound Name4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one
PubChem CID59858087
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one
SMILESCC(=O)CCC1(C)CCc2cc(O)c3c(c2O1)C1CCC3C1
InChIInChI=1S/C19H24O3/c1-11(20)5-7-19(2)8-6-14-10-15(21)16-12-3-4-13(9-12)17(16)18(14)22-19/h10,12-13,21H,3-9H2,1-2H3
InChIKeyKDUJVRUBXUXKPD-UHFFFAOYSA-N
XLogP4.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one?
The IUPAC name of 4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one (CID 59858087) is 4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one.
What is the SMILES notation for 4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one?
The canonical SMILES for 4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one is CC(=O)CCC1(C)CCc2cc(O)c3c(c2O1)C1CCC3C1.
What is the InChIKey of 4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one?
The InChIKey is KDUJVRUBXUXKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-11(20)5-7-19(2)8-6-14-10-15(21)16-12-3-4-13(9-12)17(16)18(14)22-19/h10,12-13,21H,3-9H2,1-2H3.
What are the key properties of 4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one?
4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one has a molecular weight of 300.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)butan-2-one is sourced from PubChem (CID 59858087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).