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

C29H38O5 — CID 11385787

IUPAC—
SMILESC[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2[C@](O)(c2ccccc2)C[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C29H38O5/c1-25-12-13-27(31-14-15-32-27)18-21(25)8-9-22-23-10-11-29(33-16-17-34-29)26(23,2)19-28(30,24(22)25)20-6-4-3-5-7-20/h3-8,22-24,30H,9-19H2,1-2H3/t22-,23-,24-,25-,26-,28+/m0/s1
InChIKeyYATKMKYCBKTEJF-QFLXWJJHSA-N
MW466.62 g/mol
LogP4.93
Rot. Bonds1

About (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyl-17'-phenyldispiro[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'-Dimethyl-17'-phenyldispiro[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 11385787) has the molecular formula C29H38O5 and a molecular weight of 466.62 g/mol.

Molecular Properties

Compound Name(1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyl-17'-phenyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol
PubChem CID11385787
Molecular FormulaC29H38O5
Molecular Weight466.62 g/mol
Exact Mass466.27
IUPAC Name—
SMILESC[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2[C@](O)(c2ccccc2)C[C@@]2(C)[C@H]1CCC21OCCO1)OCCO3
InChIInChI=1S/C29H38O5/c1-25-12-13-27(31-14-15-32-27)18-21(25)8-9-22-23-10-11-29(33-16-17-34-29)26(23,2)19-28(30,24(22)25)20-6-4-3-5-7-20/h3-8,22-24,30H,9-19H2,1-2H3/t22-,23-,24-,25-,26-,28+/m0/s1
InChIKeyYATKMKYCBKTEJF-QFLXWJJHSA-N
XLogP4.93
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 54.93
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'-Dimethyl-17'-phenyldispiro[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'-Dimethyl-17'-phenyldispiro[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'-Dimethyl-17'-phenyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolan]-7'-en-17'-ol (CID 11385787) is not available.
What is the SMILES notation for (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyl-17'-phenyldispiro[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'-Dimethyl-17'-phenyldispiro[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@](O)(c2ccccc2)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'-Dimethyl-17'-phenyldispiro[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 YATKMKYCBKTEJF-QFLXWJJHSA-N. The full InChI is InChI=1S/C29H38O5/c1-25-12-13-27(31-14-15-32-27)18-21(25)8-9-22-23-10-11-29(33-16-17-34-29)26(23,2)19-28(30,24(22)25)20-6-4-3-5-7-20/h3-8,22-24,30H,9-19H2,1-2H3/t22-,23-,24-,25-,26-,28+/m0/s1.
What are the key properties of (1'S,2'R,10'S,11'S,15'S,17'S)-2',15'-Dimethyl-17'-phenyldispiro[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'-Dimethyl-17'-phenyldispiro[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 466.62 g/mol, XLogP of 4.93, 1 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'-Dimethyl-17'-phenyldispiro[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 11385787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).