2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol

C15H30O4 — CID 138464052

IUPAC2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol
SMILESCCCCCC1C(CC(O)OC)CCC1(OC)OC
InChIInChI=1S/C15H30O4/c1-5-6-7-8-13-12(11-14(16)17-2)9-10-15(13,18-3)19-4/h12-14,16H,5-11H2,1-4H3
InChIKeyVVVPWVJNFGINCU-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.94
Rot. Bonds9

About 2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol

2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol (PubChem CID 138464052) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol.

Molecular Properties

Compound Name2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol
PubChem CID138464052
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol
SMILESCCCCCC1C(CC(O)OC)CCC1(OC)OC
InChIInChI=1S/C15H30O4/c1-5-6-7-8-13-12(11-14(16)17-2)9-10-15(13,18-3)19-4/h12-14,16H,5-11H2,1-4H3
InChIKeyVVVPWVJNFGINCU-UHFFFAOYSA-N
XLogP2.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol?
The IUPAC name of 2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol (CID 138464052) is 2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol.
What is the SMILES notation for 2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol?
The canonical SMILES for 2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol is CCCCCC1C(CC(O)OC)CCC1(OC)OC.
What is the InChIKey of 2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol?
The InChIKey is VVVPWVJNFGINCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-5-6-7-8-13-12(11-14(16)17-2)9-10-15(13,18-3)19-4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol?
2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol has a molecular weight of 274.40 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethoxy-2-pentylcyclopentyl)-1-methoxyethanol is sourced from PubChem (CID 138464052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).