2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol

C16H24O3 — CID 11086651

IUPAC2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol
SMILESC=C1C[C@]2(CCO)C[C@H]1C1(C[C@H]2C(=C)C)OCCO1
InChIInChI=1S/C16H24O3/c1-11(2)13-10-16(18-6-7-19-16)14-9-15(13,4-5-17)8-12(14)3/h13-14,17H,1,3-10H2,2H3/t13-,14+,15+/m0/s1
InChIKeyUSQGAYHGQPKPFS-RRFJBIMHSA-N
MW264.36 g/mol
LogP2.66
Rot. Bonds3

About 2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol

2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol (PubChem CID 11086651) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol.

Molecular Properties

Compound Name2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol
PubChem CID11086651
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol
SMILESC=C1C[C@]2(CCO)C[C@H]1C1(C[C@H]2C(=C)C)OCCO1
InChIInChI=1S/C16H24O3/c1-11(2)13-10-16(18-6-7-19-16)14-9-15(13,4-5-17)8-12(14)3/h13-14,17H,1,3-10H2,2H3/t13-,14+,15+/m0/s1
InChIKeyUSQGAYHGQPKPFS-RRFJBIMHSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol?
The IUPAC name of 2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol (CID 11086651) is 2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol.
What is the SMILES notation for 2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol?
The canonical SMILES for 2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol is C=C1C[C@]2(CCO)C[C@H]1C1(C[C@H]2C(=C)C)OCCO1.
What is the InChIKey of 2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol?
The InChIKey is USQGAYHGQPKPFS-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H24O3/c1-11(2)13-10-16(18-6-7-19-16)14-9-15(13,4-5-17)8-12(14)3/h13-14,17H,1,3-10H2,2H3/t13-,14+,15+/m0/s1.
What are the key properties of 2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol?
2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol has a molecular weight of 264.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1'S,2'S,5'R)-6'-methylidene-2'-prop-1-en-2-ylspiro[1,3-dioxolane-2,4'-bicyclo[3.2.1]octane]-1'-yl]ethanol is sourced from PubChem (CID 11086651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).