(3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane

C13H26O2 — CID 126735295

IUPAC(3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane
SMILESCOC(OC)(C(C)C)C(C)C1CCCC1
InChIInChI=1S/C13H26O2/c1-10(2)13(14-4,15-5)11(3)12-8-6-7-9-12/h10-12H,6-9H2,1-5H3
InChIKeyYZEGYEBHCCLTES-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.46
Rot. Bonds5

About (3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane

(3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane (PubChem CID 126735295) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane.

Molecular Properties

Compound Name(3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane
PubChem CID126735295
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane
SMILESCOC(OC)(C(C)C)C(C)C1CCCC1
InChIInChI=1S/C13H26O2/c1-10(2)13(14-4,15-5)11(3)12-8-6-7-9-12/h10-12H,6-9H2,1-5H3
InChIKeyYZEGYEBHCCLTES-UHFFFAOYSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trimethoxypropan-2-ylcyclohexane
CID 118007737
(2-cyclohexyl-1,1-dimethoxypropyl)silane
CID 173326577
1-methoxyethylcyclooctane
CID 58445596
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 89281788
1-methoxypropan-2-ylcyclopentane
CID 88998786
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
carbanide;iron(2+);bis(propan-2-ylcyclopentane)
CID 162282173
methane;propan-2-ylcyclotetradecane
CID 159882779
1-cyclopentylethylcyclohexane
CID 57034702
1-cyclopropylethylcyclopentane
CID 147777183
1-cyclopentyl-2-methoxy-N,2-dimethylpropan-1-amine
CID 79197784

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane?
The IUPAC name of (3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane (CID 126735295) is (3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane.
What is the SMILES notation for (3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane?
The canonical SMILES for (3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane is COC(OC)(C(C)C)C(C)C1CCCC1.
What is the InChIKey of (3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane?
The InChIKey is YZEGYEBHCCLTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-10(2)13(14-4,15-5)11(3)12-8-6-7-9-12/h10-12H,6-9H2,1-5H3.
What are the key properties of (3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane?
(3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane has a molecular weight of 214.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethoxy-4-methylpentan-2-yl)cyclopentane is sourced from PubChem (CID 126735295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).