7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol

C15H30O2 — CID 137487836

IUPAC7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol
SMILESCOCCC1(CCCCCCCO)CCCC1
InChIInChI=1S/C15H30O2/c1-17-14-12-15(10-6-7-11-15)9-5-3-2-4-8-13-16/h16H,2-14H2,1H3
InChIKeyTXGBZMUHUDQXAS-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.92
Rot. Bonds10

About 7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol

7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol (PubChem CID 137487836) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol.

Molecular Properties

Compound Name7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol
PubChem CID137487836
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol
SMILESCOCCC1(CCCCCCCO)CCCC1
InChIInChI=1S/C15H30O2/c1-17-14-12-15(10-6-7-11-15)9-5-3-2-4-8-13-16/h16H,2-14H2,1H3
InChIKeyTXGBZMUHUDQXAS-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol?
The IUPAC name of 7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol (CID 137487836) is 7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol.
What is the SMILES notation for 7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol?
The canonical SMILES for 7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol is COCCC1(CCCCCCCO)CCCC1.
What is the InChIKey of 7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol?
The InChIKey is TXGBZMUHUDQXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-17-14-12-15(10-6-7-11-15)9-5-3-2-4-8-13-16/h16H,2-14H2,1H3.
What are the key properties of 7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol?
7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol has a molecular weight of 242.40 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-methoxyethyl)cyclopentyl]heptan-1-ol is sourced from PubChem (CID 137487836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).