[6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate

C18H26O7 — CID 66656835

IUPAC[6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1OC(C2COC(C)(C)O2)C2OC3(CCCC3)OC12
InChIInChI=1S/C18H26O7/c1-10(2)15(19)22-16-14-13(24-18(25-14)7-5-6-8-18)12(21-16)11-9-20-17(3,4)23-11/h11-14,16H,1,5-9H2,2-4H3
InChIKeyDPYDHBREUQNZJH-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.04
Rot. Bonds3

About [6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate

[6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate (PubChem CID 66656835) has the molecular formula C18H26O7 and a molecular weight of 354.40 g/mol. Its IUPAC name is [6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate
PubChem CID66656835
Molecular FormulaC18H26O7
Molecular Weight354.40 g/mol
Exact Mass354.17
IUPAC Name[6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1OC(C2COC(C)(C)O2)C2OC3(CCCC3)OC12
InChIInChI=1S/C18H26O7/c1-10(2)15(19)22-16-14-13(24-18(25-14)7-5-6-8-18)12(21-16)11-9-20-17(3,4)23-11/h11-14,16H,1,5-9H2,2-4H3
InChIKeyDPYDHBREUQNZJH-UHFFFAOYSA-N
XLogP2.04
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate?
The IUPAC name of [6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate (CID 66656835) is [6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate?
The canonical SMILES for [6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1OC(C2COC(C)(C)O2)C2OC3(CCCC3)OC12.
What is the InChIKey of [6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate?
The InChIKey is DPYDHBREUQNZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O7/c1-10(2)15(19)22-16-14-13(24-18(25-14)7-5-6-8-18)12(21-16)11-9-20-17(3,4)23-11/h11-14,16H,1,5-9H2,2-4H3.
What are the key properties of [6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate?
[6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate has a molecular weight of 354.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2-dimethyl-1,3-dioxolan-4-yl)spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 66656835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).