2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene]

C19H26O2 — CID 21032895

IUPAC2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene]
SMILESCCCC1CCc2c(ccc3c2CCC2(C3)OCCO2)C1
InChIInChI=1S/C19H26O2/c1-2-3-14-4-7-17-15(12-14)5-6-16-13-19(9-8-18(16)17)20-10-11-21-19/h5-6,14H,2-4,7-13H2,1H3
InChIKeyPWVAHFLZCCDSLE-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.82
Rot. Bonds2

About 2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene]

2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene] (PubChem CID 21032895) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene].

Molecular Properties

Compound Name2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene]
PubChem CID21032895
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene]
SMILESCCCC1CCc2c(ccc3c2CCC2(C3)OCCO2)C1
InChIInChI=1S/C19H26O2/c1-2-3-14-4-7-17-15(12-14)5-6-16-13-19(9-8-18(16)17)20-10-11-21-19/h5-6,14H,2-4,7-13H2,1H3
InChIKeyPWVAHFLZCCDSLE-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene]?
The IUPAC name of 2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene] (CID 21032895) is 2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene].
What is the SMILES notation for 2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene]?
The canonical SMILES for 2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene] is CCCC1CCc2c(ccc3c2CCC2(C3)OCCO2)C1.
What is the InChIKey of 2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene]?
The InChIKey is PWVAHFLZCCDSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-3-14-4-7-17-15(12-14)5-6-16-13-19(9-8-18(16)17)20-10-11-21-19/h5-6,14H,2-4,7-13H2,1H3.
What are the key properties of 2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene]?
2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene] has a molecular weight of 286.42 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-propylspiro[1,3-dioxolane-2,7'-2,3,4,5,6,8-hexahydro-1H-phenanthrene] is sourced from PubChem (CID 21032895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).