1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol

C13H26O2 — CID 116712985

IUPAC1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol
SMILESCOC(C(O)CC1CCCC1)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-13(2,3)12(15-4)11(14)9-10-7-5-6-8-10/h10-12,14H,5-9H2,1-4H3
InChIKeyMSAGFSGEADEPQX-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds4

About 1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol

1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol (PubChem CID 116712985) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol
PubChem CID116712985
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol
SMILESCOC(C(O)CC1CCCC1)C(C)(C)C
InChIInChI=1S/C13H26O2/c1-13(2,3)12(15-4)11(14)9-10-7-5-6-8-10/h10-12,14H,5-9H2,1-4H3
InChIKeyMSAGFSGEADEPQX-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol (CID 116712985) is 1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol is COC(C(O)CC1CCCC1)C(C)(C)C.
What is the InChIKey of 1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol?
The InChIKey is MSAGFSGEADEPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-13(2,3)12(15-4)11(14)9-10-7-5-6-8-10/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol?
1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 116712985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).