3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol

C24H38O2 — CID 162832328

IUPAC3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol
SMILESC=C1C[C@@]2(CC[C@H](CCCO)C2)[C@@H]2O[C@]2(C)C[C@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23
InChIInChI=1S/C24H38O2/c1-16-12-24(10-8-17(13-24)6-5-11-25)21-23(3,26-21)14-18-7-4-9-22(2)15-19(16)20(18)22/h17-21,25H,1,4-15H2,2-3H3/t17-,18+,19+,20+,21+,22-,23+,24+/m0/s1
InChIKeyLOMCSNMWUADCBX-KBUDFMHNSA-N
MW358.57 g/mol
LogP5.50
Rot. Bonds3

About 3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol

3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol (PubChem CID 162832328) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol
PubChem CID162832328
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol
SMILESC=C1C[C@@]2(CC[C@H](CCCO)C2)[C@@H]2O[C@]2(C)C[C@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23
InChIInChI=1S/C24H38O2/c1-16-12-24(10-8-17(13-24)6-5-11-25)21-23(3,26-21)14-18-7-4-9-22(2)15-19(16)20(18)22/h17-21,25H,1,4-15H2,2-3H3/t17-,18+,19+,20+,21+,22-,23+,24+/m0/s1
InChIKeyLOMCSNMWUADCBX-KBUDFMHNSA-N
XLogP5.50
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol?
The IUPAC name of 3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol (CID 162832328) is 3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol.
What is the SMILES notation for 3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol?
The canonical SMILES for 3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol is C=C1C[C@@]2(CC[C@H](CCCO)C2)[C@@H]2O[C@]2(C)C[C@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23.
What is the InChIKey of 3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol?
The InChIKey is LOMCSNMWUADCBX-KBUDFMHNSA-N. The full InChI is InChI=1S/C24H38O2/c1-16-12-24(10-8-17(13-24)6-5-11-25)21-23(3,26-21)14-18-7-4-9-22(2)15-19(16)20(18)22/h17-21,25H,1,4-15H2,2-3H3/t17-,18+,19+,20+,21+,22-,23+,24+/m0/s1.
What are the key properties of 3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol?
3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol has a molecular weight of 358.57 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,1'R,3R,5S,6S,9S,11S,15R)-3,11-dimethyl-8-methylidenespiro[4-oxatetracyclo[7.5.1.03,5.011,15]pentadecane-6,3'-cyclopentane]-1'-yl]propan-1-ol is sourced from PubChem (CID 162832328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).