2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene

C12H14O2 — CID 57457859

IUPAC2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene
SMILESCOCOc1cccc2c1C1CC1C2
InChIInChI=1S/C12H14O2/c1-13-7-14-11-4-2-3-8-5-9-6-10(9)12(8)11/h2-4,9-10H,5-7H2,1H3
InChIKeyAPRNRCQWMRQHLQ-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.33
Rot. Bonds3

About 2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene

2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene (PubChem CID 57457859) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene.

Molecular Properties

Compound Name2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene
PubChem CID57457859
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene
SMILESCOCOc1cccc2c1C1CC1C2
InChIInChI=1S/C12H14O2/c1-13-7-14-11-4-2-3-8-5-9-6-10(9)12(8)11/h2-4,9-10H,5-7H2,1H3
InChIKeyAPRNRCQWMRQHLQ-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene?
The IUPAC name of 2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene (CID 57457859) is 2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene.
What is the SMILES notation for 2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene?
The canonical SMILES for 2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene is COCOc1cccc2c1C1CC1C2.
What is the InChIKey of 2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene?
The InChIKey is APRNRCQWMRQHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-13-7-14-11-4-2-3-8-5-9-6-10(9)12(8)11/h2-4,9-10H,5-7H2,1H3.
What are the key properties of 2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene?
2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene has a molecular weight of 190.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-1,1a,6,6a-tetrahydrocyclopropa[a]indene is sourced from PubChem (CID 57457859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).