3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol

C14H28O3 — CID 135274957

IUPAC3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol
SMILESCCCCCC1C(O)CCC1CC(OC)OC
InChIInChI=1S/C14H28O3/c1-4-5-6-7-12-11(8-9-13(12)15)10-14(16-2)17-3/h11-15H,4-10H2,1-3H3
InChIKeyHWJDCVLSMBAHQS-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.96
Rot. Bonds8

About 3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol

3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol (PubChem CID 135274957) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol
PubChem CID135274957
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol
SMILESCCCCCC1C(O)CCC1CC(OC)OC
InChIInChI=1S/C14H28O3/c1-4-5-6-7-12-11(8-9-13(12)15)10-14(16-2)17-3/h11-15H,4-10H2,1-3H3
InChIKeyHWJDCVLSMBAHQS-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol?
The IUPAC name of 3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol (CID 135274957) is 3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol?
The canonical SMILES for 3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol is CCCCCC1C(O)CCC1CC(OC)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol?
The InChIKey is HWJDCVLSMBAHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-4-5-6-7-12-11(8-9-13(12)15)10-14(16-2)17-3/h11-15H,4-10H2,1-3H3.
What are the key properties of 3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol?
3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol has a molecular weight of 244.37 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethyl)-2-pentylcyclopentan-1-ol is sourced from PubChem (CID 135274957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).