(1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol

C18H28O4 — CID 70467615

IUPAC(1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol
SMILESOC(=CCC1CCCCC1)[C@@H]1C[C@H]2[C@@H](CC23OCCO3)C1O
InChIInChI=1S/C18H28O4/c19-16(7-6-12-4-2-1-3-5-12)13-10-15-14(17(13)20)11-18(15)21-8-9-22-18/h7,12-15,17,19-20H,1-6,8-11H2/t13-,14+,15-,17?/m0/s1
InChIKeyPDLXEAAVMIYBPY-QDSSRZTBSA-N
MW308.42 g/mol
LogP3.16
Rot. Bonds3

About (1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol

(1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol (PubChem CID 70467615) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is (1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol.

Molecular Properties

Compound Name(1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol
PubChem CID70467615
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name(1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol
SMILESOC(=CCC1CCCCC1)[C@@H]1C[C@H]2[C@@H](CC23OCCO3)C1O
InChIInChI=1S/C18H28O4/c19-16(7-6-12-4-2-1-3-5-12)13-10-15-14(17(13)20)11-18(15)21-8-9-22-18/h7,12-15,17,19-20H,1-6,8-11H2/t13-,14+,15-,17?/m0/s1
InChIKeyPDLXEAAVMIYBPY-QDSSRZTBSA-N
XLogP3.16
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol?
The IUPAC name of (1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol (CID 70467615) is (1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol.
What is the SMILES notation for (1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol?
The canonical SMILES for (1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol is OC(=CCC1CCCCC1)[C@@H]1C[C@H]2[C@@H](CC23OCCO3)C1O.
What is the InChIKey of (1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol?
The InChIKey is PDLXEAAVMIYBPY-QDSSRZTBSA-N. The full InChI is InChI=1S/C18H28O4/c19-16(7-6-12-4-2-1-3-5-12)13-10-15-14(17(13)20)11-18(15)21-8-9-22-18/h7,12-15,17,19-20H,1-6,8-11H2/t13-,14+,15-,17?/m0/s1.
What are the key properties of (1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol?
(1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol has a molecular weight of 308.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3'R,5'S)-3'-(3-cyclohexyl-1-hydroxyprop-1-enyl)spiro[1,3-dioxolane-2,6'-bicyclo[3.2.0]heptane]-2'-ol is sourced from PubChem (CID 70467615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).