6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

C16H26O2 — CID 57030096

IUPAC6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCCC12CCC=CC1C(CC(C)C)C21OCCO1
InChIInChI=1S/C16H26O2/c1-4-15-8-6-5-7-13(15)14(11-12(2)3)16(15)17-9-10-18-16/h5,7,12-14H,4,6,8-11H2,1-3H3
InChIKeyDNZBMSUMMGNNJP-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.77
Rot. Bonds3

About 6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]

6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (PubChem CID 57030096) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].

Molecular Properties

Compound Name6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
PubChem CID57030096
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
SMILESCCC12CCC=CC1C(CC(C)C)C21OCCO1
InChIInChI=1S/C16H26O2/c1-4-15-8-6-5-7-13(15)14(11-12(2)3)16(15)17-9-10-18-16/h5,7,12-14H,4,6,8-11H2,1-3H3
InChIKeyDNZBMSUMMGNNJP-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The IUPAC name of 6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] (CID 57030096) is 6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene].
What is the SMILES notation for 6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The canonical SMILES for 6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is CCC12CCC=CC1C(CC(C)C)C21OCCO1.
What is the InChIKey of 6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
The InChIKey is DNZBMSUMMGNNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-15-8-6-5-7-13(15)14(11-12(2)3)16(15)17-9-10-18-16/h5,7,12-14H,4,6,8-11H2,1-3H3.
What are the key properties of 6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]?
6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] has a molecular weight of 250.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-ethyl-8'-(2-methylpropyl)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene] is sourced from PubChem (CID 57030096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).