4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol

C13H26O2 — CID 103028425

IUPAC4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)C1(C)CCCC1
InChIInChI=1S/C13H26O2/c1-12(2,15-4)10-7-11(14)13(3)8-5-6-9-13/h11,14H,5-10H2,1-4H3
InChIKeyJQAHPIPSICZFDN-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.13
Rot. Bonds5

About 4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol

4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol (PubChem CID 103028425) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol
PubChem CID103028425
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)C1(C)CCCC1
InChIInChI=1S/C13H26O2/c1-12(2,15-4)10-7-11(14)13(3)8-5-6-9-13/h11,14H,5-10H2,1-4H3
InChIKeyJQAHPIPSICZFDN-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol (CID 103028425) is 4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol is COC(C)(C)CCC(O)C1(C)CCCC1.
What is the InChIKey of 4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol?
The InChIKey is JQAHPIPSICZFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-12(2,15-4)10-7-11(14)13(3)8-5-6-9-13/h11,14H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol?
4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(1-methylcyclopentyl)pentan-1-ol is sourced from PubChem (CID 103028425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).