3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane

C13H26O2 — CID 176798442

IUPAC3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane
SMILESCOC1CC(C(C)C)(C(C)C)CC1OC
InChIInChI=1S/C13H26O2/c1-9(2)13(10(3)4)7-11(14-5)12(8-13)15-6/h9-12H,7-8H2,1-6H3
InChIKeyJCXYWUCFOVYLSA-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.11
Rot. Bonds4

About 3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane

3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane (PubChem CID 176798442) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane.

Molecular Properties

Compound Name3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane
PubChem CID176798442
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane
SMILESCOC1CC(C(C)C)(C(C)C)CC1OC
InChIInChI=1S/C13H26O2/c1-9(2)13(10(3)4)7-11(14-5)12(8-13)15-6/h9-12H,7-8H2,1-6H3
InChIKeyJCXYWUCFOVYLSA-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethoxy-1,1-dimethylcyclopentane
CID 58806283
1-methoxy-2-propan-2-ylcyclopropane
CID 77441779
trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid
CID 102274744
(2R,3'R,4R)-3',4'-dimethoxy-7-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 167144756
8-methoxy-1,5-dimethyltricyclo[5.2.1.02,6]decane
CID 71411322
cis-(1S,3R)-1,3-di(propan-2-yl)cyclopentane;(3R)-1,1,3-tri(propan-2-yl)cyclopentane
CID 157078538
trans-(1R,2R)-1-methoxy-2-propan-2-yloxycyclohexane
CID 126735216
1-methoxy-2-propan-2-yloxycyclopentane
CID 77170188
trans-(1S,2S)-1-methoxy-2-propan-2-yloxycyclohexane
CID 134594695
cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane
CID 137449477
1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane?
The IUPAC name of 3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane (CID 176798442) is 3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane.
What is the SMILES notation for 3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane?
The canonical SMILES for 3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane is COC1CC(C(C)C)(C(C)C)CC1OC.
What is the InChIKey of 3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane?
The InChIKey is JCXYWUCFOVYLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-9(2)13(10(3)4)7-11(14-5)12(8-13)15-6/h9-12H,7-8H2,1-6H3.
What are the key properties of 3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane?
3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane has a molecular weight of 214.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-1,1-di(propan-2-yl)cyclopentane is sourced from PubChem (CID 176798442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).