8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one

C30H46O5 — CID 75109000

IUPAC8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one
SMILESCC1=CCC(C(C)C2CCC3(C)C4CCC(C(C)(C)O)C5(CCC(=O)O5)CC4CCC23C)OC1=O
InChIInChI=1S/C30H46O5/c1-18-7-9-23(34-26(18)32)19(2)21-12-15-29(6)22-8-10-24(27(3,4)33)30(16-13-25(31)35-30)17-20(22)11-14-28(21,29)5/h7,19-24,33H,8-17H2,1-6H3
InChIKeyBNLMDAVYYWHMAP-UHFFFAOYSA-N
MW486.69 g/mol
LogP5.98
Rot. Bonds3

About 8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one

8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one (PubChem CID 75109000) has the molecular formula C30H46O5 and a molecular weight of 486.69 g/mol. Its IUPAC name is 8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one.

Molecular Properties

Compound Name8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one
PubChem CID75109000
Molecular FormulaC30H46O5
Molecular Weight486.69 g/mol
Exact Mass486.33
IUPAC Name8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one
SMILESCC1=CCC(C(C)C2CCC3(C)C4CCC(C(C)(C)O)C5(CCC(=O)O5)CC4CCC23C)OC1=O
InChIInChI=1S/C30H46O5/c1-18-7-9-23(34-26(18)32)19(2)21-12-15-29(6)22-8-10-24(27(3,4)33)30(16-13-25(31)35-30)17-20(22)11-14-28(21,29)5/h7,19-24,33H,8-17H2,1-6H3
InChIKeyBNLMDAVYYWHMAP-UHFFFAOYSA-N
XLogP5.98
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.69
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one?
The IUPAC name of 8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one (CID 75109000) is 8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one.
What is the SMILES notation for 8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one?
The canonical SMILES for 8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one is CC1=CCC(C(C)C2CCC3(C)C4CCC(C(C)(C)O)C5(CCC(=O)O5)CC4CCC23C)OC1=O.
What is the InChIKey of 8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one?
The InChIKey is BNLMDAVYYWHMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O5/c1-18-7-9-23(34-26(18)32)19(2)21-12-15-29(6)22-8-10-24(27(3,4)33)30(16-13-25(31)35-30)17-20(22)11-14-28(21,29)5/h7,19-24,33H,8-17H2,1-6H3.
What are the key properties of 8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one?
8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one has a molecular weight of 486.69 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxypropan-2-yl)-3a,10b-dimethyl-3-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]spiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,5'-oxolane]-2'-one is sourced from PubChem (CID 75109000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).