4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene]

C19H30O2 — CID 71082019

IUPAC4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene]
SMILESCC12CCC3(OCCO3)C(C)(C)C1CCC1CCCC=C12
InChIInChI=1S/C19H30O2/c1-17(2)16-9-8-14-6-4-5-7-15(14)18(16,3)10-11-19(17)20-12-13-21-19/h7,14,16H,4-6,8-13H2,1-3H3
InChIKeyYKOULACFUQEMLN-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.69
Rot. Bonds

About 4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene]

4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene] (PubChem CID 71082019) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene].

Molecular Properties

Compound Name4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene]
PubChem CID71082019
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene]
SMILESCC12CCC3(OCCO3)C(C)(C)C1CCC1CCCC=C12
InChIInChI=1S/C19H30O2/c1-17(2)16-9-8-14-6-4-5-7-15(14)18(16,3)10-11-19(17)20-12-13-21-19/h7,14,16H,4-6,8-13H2,1-3H3
InChIKeyYKOULACFUQEMLN-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene]?
The IUPAC name of 4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene] (CID 71082019) is 4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene].
What is the SMILES notation for 4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene]?
The canonical SMILES for 4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene] is CC12CCC3(OCCO3)C(C)(C)C1CCC1CCCC=C12.
What is the InChIKey of 4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene]?
The InChIKey is YKOULACFUQEMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-17(2)16-9-8-14-6-4-5-7-15(14)18(16,3)10-11-19(17)20-12-13-21-19/h7,14,16H,4-6,8-13H2,1-3H3.
What are the key properties of 4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene]?
4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene] has a molecular weight of 290.45 g/mol, XLogP of 4.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene] is sourced from PubChem (CID 71082019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).