(1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol

C23H34O5 — CID 70680161

IUPAC—
SMILESC[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C23H34O5/c1-20-7-8-22(25-9-10-26-22)13-15(20)3-4-16-17-5-6-23(27-11-12-28-23)21(17,2)14-18(24)19(16)20/h3,16-19,24H,4-14H2,1-2H3/t16-,17-,18-,19+,20-,21-/m0/s1
InChIKeyIPPXYFCQCRCFPI-OLGWUGKESA-N
MW390.52 g/mol
LogP3.41
Rot. Bonds

About (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol

(1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol (PubChem CID 70680161) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol.

Molecular Properties

Compound Name(1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol
PubChem CID70680161
Molecular FormulaC23H34O5
Molecular Weight390.52 g/mol
Exact Mass390.24
IUPAC Name—
SMILESC[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C23H34O5/c1-20-7-8-22(25-9-10-26-22)13-15(20)3-4-16-17-5-6-23(27-11-12-28-23)21(17,2)14-18(24)19(16)20/h3,16-19,24H,4-14H2,1-2H3/t16-,17-,18-,19+,20-,21-/m0/s1
InChIKeyIPPXYFCQCRCFPI-OLGWUGKESA-N
XLogP3.41
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol?
The IUPAC name of (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol (CID 70680161) is not available.
What is the SMILES notation for (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol?
The canonical SMILES for (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol is C[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3.
What is the InChIKey of (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol?
The InChIKey is IPPXYFCQCRCFPI-OLGWUGKESA-N. The full InChI is InChI=1S/C23H34O5/c1-20-7-8-22(25-9-10-26-22)13-15(20)3-4-16-17-5-6-23(27-11-12-28-23)21(17,2)14-18(24)19(16)20/h3,16-19,24H,4-14H2,1-2H3/t16-,17-,18-,19+,20-,21-/m0/s1.
What are the key properties of (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol?
(1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol has a molecular weight of 390.52 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol is sourced from PubChem (CID 70680161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).