6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one

C18H30O4 — CID 145351706

IUPAC6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one
SMILESCC(C)C1OC(=O)CC2C1CC(O)C1C(C)CCC(O)C21C
InChIInChI=1S/C18H30O4/c1-9(2)17-11-7-13(19)16-10(3)5-6-14(20)18(16,4)12(11)8-15(21)22-17/h9-14,16-17,19-20H,5-8H2,1-4H3
InChIKeyCNJASCNQPNQKIW-UHFFFAOYSA-N
MW310.43 g/mol
LogP2.37
Rot. Bonds1

About 6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one

6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one (PubChem CID 145351706) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one.

Molecular Properties

Compound Name6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one
PubChem CID145351706
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one
SMILESCC(C)C1OC(=O)CC2C1CC(O)C1C(C)CCC(O)C21C
InChIInChI=1S/C18H30O4/c1-9(2)17-11-7-13(19)16-10(3)5-6-14(20)18(16,4)12(11)8-15(21)22-17/h9-14,16-17,19-20H,5-8H2,1-4H3
InChIKeyCNJASCNQPNQKIW-UHFFFAOYSA-N
XLogP2.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one?
The IUPAC name of 6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one (CID 145351706) is 6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one.
What is the SMILES notation for 6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one?
The canonical SMILES for 6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one is CC(C)C1OC(=O)CC2C1CC(O)C1C(C)CCC(O)C21C.
What is the InChIKey of 6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one?
The InChIKey is CNJASCNQPNQKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-9(2)17-11-7-13(19)16-10(3)5-6-14(20)18(16,4)12(11)8-15(21)22-17/h9-14,16-17,19-20H,5-8H2,1-4H3.
What are the key properties of 6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one?
6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one has a molecular weight of 310.43 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dihydroxy-7,10a-dimethyl-4-propan-2-yl-4,4a,5,6,6a,7,8,9,10,10b-decahydro-1H-benzo[f]isochromen-2-one is sourced from PubChem (CID 145351706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).