(11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene]

C25H38O6 — CID 54578510

IUPAC(11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene]
SMILESCOCO[C@H]1CC[C@@H]2[C@]1(C)CC=C1C=C3CCC4(CC3CC[C@@]12OCOC)OCCO4
InChIInChI=1S/C25H38O6/c1-23-9-8-20-14-18-6-10-24(29-12-13-30-24)15-19(18)7-11-25(20,31-17-27-3)21(23)4-5-22(23)28-16-26-2/h8,14,19,21-22H,4-7,9-13,15-17H2,1-3H3/t19?,21-,22+,23+,25-/m1/s1
InChIKeyWOGHCEPVBLYVKA-VASVWSGJSA-N
MW434.57 g/mol
LogP4.34
Rot. Bonds6

About (11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene]

(11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene] (PubChem CID 54578510) has the molecular formula C25H38O6 and a molecular weight of 434.57 g/mol. Its IUPAC name is (11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene].

Molecular Properties

Compound Name(11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene]
PubChem CID54578510
Molecular FormulaC25H38O6
Molecular Weight434.57 g/mol
Exact Mass434.27
IUPAC Name(11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene]
SMILESCOCO[C@H]1CC[C@@H]2[C@]1(C)CC=C1C=C3CCC4(CC3CC[C@@]12OCOC)OCCO4
InChIInChI=1S/C25H38O6/c1-23-9-8-20-14-18-6-10-24(29-12-13-30-24)15-19(18)7-11-25(20,31-17-27-3)21(23)4-5-22(23)28-16-26-2/h8,14,19,21-22H,4-7,9-13,15-17H2,1-3H3/t19?,21-,22+,23+,25-/m1/s1
InChIKeyWOGHCEPVBLYVKA-VASVWSGJSA-N
XLogP4.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene] 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 (11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene]?
The IUPAC name of (11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene] (CID 54578510) is (11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene].
What is the SMILES notation for (11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene]?
The canonical SMILES for (11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene] is COCO[C@H]1CC[C@@H]2[C@]1(C)CC=C1C=C3CCC4(CC3CC[C@@]12OCOC)OCCO4.
What is the InChIKey of (11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene]?
The InChIKey is WOGHCEPVBLYVKA-VASVWSGJSA-N. The full InChI is InChI=1S/C25H38O6/c1-23-9-8-20-14-18-6-10-24(29-12-13-30-24)15-19(18)7-11-25(20,31-17-27-3)21(23)4-5-22(23)28-16-26-2/h8,14,19,21-22H,4-7,9-13,15-17H2,1-3H3/t19?,21-,22+,23+,25-/m1/s1.
What are the key properties of (11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene]?
(11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene] has a molecular weight of 434.57 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11'S,12'R,15'S,16'S)-11',15'-bis(methoxymethoxy)-16'-methylspiro[1,3-dioxolane-2,6'-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-diene] is sourced from PubChem (CID 54578510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).