methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate

C12H22O4 — CID 154931265

IUPACmethyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(OCCCCCCCO)CC1
InChIInChI=1S/C12H22O4/c1-15-11(14)12(7-8-12)16-10-6-4-2-3-5-9-13/h13H,2-10H2,1H3
InChIKeyRPJWGIQHWMYGKU-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.65
Rot. Bonds9

About methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate

methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate (PubChem CID 154931265) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate
PubChem CID154931265
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Namemethyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(OCCCCCCCO)CC1
InChIInChI=1S/C12H22O4/c1-15-11(14)12(7-8-12)16-10-6-4-2-3-5-9-13/h13H,2-10H2,1H3
InChIKeyRPJWGIQHWMYGKU-UHFFFAOYSA-N
XLogP1.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate (CID 154931265) is methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate is COC(=O)C1(OCCCCCCCO)CC1.
What is the InChIKey of methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate?
The InChIKey is RPJWGIQHWMYGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-15-11(14)12(7-8-12)16-10-6-4-2-3-5-9-13/h13H,2-10H2,1H3.
What are the key properties of methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate?
methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate has a molecular weight of 230.30 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(7-hydroxyheptoxy)cyclopropane-1-carboxylate is sourced from PubChem (CID 154931265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).