(3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane]

C17H24O2 — CID 134941614

IUPAC(3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane]
SMILESC=C[C@@]12C=CC3(C[C@@H]1C[C@@H](C(=C)C)CC2)OCCO3
InChIInChI=1S/C17H24O2/c1-4-16-6-5-14(13(2)3)11-15(16)12-17(8-7-16)18-9-10-19-17/h4,7-8,14-15H,1-2,5-6,9-12H2,3H3/t14-,15-,16+/m0/s1
InChIKeyPIPKHOBYOPPOLC-HRCADAONSA-N
MW260.38 g/mol
LogP3.85
Rot. Bonds2

About (3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane]

(3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane] (PubChem CID 134941614) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane].

Molecular Properties

Compound Name(3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane]
PubChem CID134941614
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane]
SMILESC=C[C@@]12C=CC3(C[C@@H]1C[C@@H](C(=C)C)CC2)OCCO3
InChIInChI=1S/C17H24O2/c1-4-16-6-5-14(13(2)3)11-15(16)12-17(8-7-16)18-9-10-19-17/h4,7-8,14-15H,1-2,5-6,9-12H2,3H3/t14-,15-,16+/m0/s1
InChIKeyPIPKHOBYOPPOLC-HRCADAONSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane] 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 (3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane]?
The IUPAC name of (3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane] (CID 134941614) is (3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane].
What is the SMILES notation for (3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane]?
The canonical SMILES for (3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane] is C=C[C@@]12C=CC3(C[C@@H]1C[C@@H](C(=C)C)CC2)OCCO3.
What is the InChIKey of (3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane]?
The InChIKey is PIPKHOBYOPPOLC-HRCADAONSA-N. The full InChI is InChI=1S/C17H24O2/c1-4-16-6-5-14(13(2)3)11-15(16)12-17(8-7-16)18-9-10-19-17/h4,7-8,14-15H,1-2,5-6,9-12H2,3H3/t14-,15-,16+/m0/s1.
What are the key properties of (3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane]?
(3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane] has a molecular weight of 260.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4aS,8aR)-8a-ethenyl-3-prop-1-en-2-ylspiro[1,2,3,4,4a,5-hexahydronaphthalene-6,2'-1,3-dioxolane] is sourced from PubChem (CID 134941614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).