(4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol

C15H24O4 — CID 70879621

IUPAC(4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
SMILESC[C@]12CCC(O)C(CCO)=C1CCCC21OCCO1
InChIInChI=1S/C15H24O4/c1-14-7-4-13(17)11(5-8-16)12(14)3-2-6-15(14)18-9-10-19-15/h13,16-17H,2-10H2,1H3/t13?,14-/m0/s1
InChIKeyYXWQPYVWPBNBDA-KZUDCZAMSA-N
MW268.35 g/mol
LogP1.75
Rot. Bonds2

About (4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol

(4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol (PubChem CID 70879621) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol.

Molecular Properties

Compound Name(4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
PubChem CID70879621
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol
SMILESC[C@]12CCC(O)C(CCO)=C1CCCC21OCCO1
InChIInChI=1S/C15H24O4/c1-14-7-4-13(17)11(5-8-16)12(14)3-2-6-15(14)18-9-10-19-15/h13,16-17H,2-10H2,1H3/t13?,14-/m0/s1
InChIKeyYXWQPYVWPBNBDA-KZUDCZAMSA-N
XLogP1.75
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
The IUPAC name of (4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol (CID 70879621) is (4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol.
What is the SMILES notation for (4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
The canonical SMILES for (4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol is C[C@]12CCC(O)C(CCO)=C1CCCC21OCCO1.
What is the InChIKey of (4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
The InChIKey is YXWQPYVWPBNBDA-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H24O4/c1-14-7-4-13(17)11(5-8-16)12(14)3-2-6-15(14)18-9-10-19-15/h13,16-17H,2-10H2,1H3/t13?,14-/m0/s1.
What are the key properties of (4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol?
(4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol has a molecular weight of 268.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4'aS)-1'-(2-hydroxyethyl)-4'a-methylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8-hexahydronaphthalene]-2'-ol is sourced from PubChem (CID 70879621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).