1,1-bis(3,3-dimethylbutoxy)cyclopentane

C17H34O2 — CID 155455157

IUPAC1,1-bis(3,3-dimethylbutoxy)cyclopentane
SMILESCC(C)(C)CCOC1(OCCC(C)(C)C)CCCC1
InChIInChI=1S/C17H34O2/c1-15(2,3)11-13-18-17(9-7-8-10-17)19-14-12-16(4,5)6/h7-14H2,1-6H3
InChIKeyXLOIBLBRSFEZFZ-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.16
Rot. Bonds6

About 1,1-bis(3,3-dimethylbutoxy)cyclopentane

1,1-bis(3,3-dimethylbutoxy)cyclopentane (PubChem CID 155455157) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1,1-bis(3,3-dimethylbutoxy)cyclopentane.

Molecular Properties

Compound Name1,1-bis(3,3-dimethylbutoxy)cyclopentane
PubChem CID155455157
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name1,1-bis(3,3-dimethylbutoxy)cyclopentane
SMILESCC(C)(C)CCOC1(OCCC(C)(C)C)CCCC1
InChIInChI=1S/C17H34O2/c1-15(2,3)11-13-18-17(9-7-8-10-17)19-14-12-16(4,5)6/h7-14H2,1-6H3
InChIKeyXLOIBLBRSFEZFZ-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.16
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

N-[[1-(3,3-dimethylbutoxy)cyclopentyl]methyl]ethanamine
CID 66226009
1,1-dipropoxycyclodecane
CID 89439642
1,1-dibutoxycyclopentane
CID 18792031
1,1-dibutoxycyclooctane
CID 18791994
1,1-dipropoxycyclononane;trimethylphosphane;hydroiodide
CID 175350547
1,1-bis(3-chloropropoxy)cyclohexane
CID 139677347
1-(bromomethyl)-1-(3,3-dimethylbutoxymethyl)cyclohexane
CID 66234060
1,1-bis(hept-3-enoxy)cyclohexane
CID 69187054
1,1-bis[(2-methylpropan-2-yl)oxy]cyclopentane
CID 153309122
3,3-dimethylbutyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81162022
[1-(3,3-dimethylbutoxy)-3-methylcyclopentyl]methanamine
CID 65052054
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(3,3-dimethylbutoxy)cyclopentane?
The IUPAC name of 1,1-bis(3,3-dimethylbutoxy)cyclopentane (CID 155455157) is 1,1-bis(3,3-dimethylbutoxy)cyclopentane.
What is the SMILES notation for 1,1-bis(3,3-dimethylbutoxy)cyclopentane?
The canonical SMILES for 1,1-bis(3,3-dimethylbutoxy)cyclopentane is CC(C)(C)CCOC1(OCCC(C)(C)C)CCCC1.
What is the InChIKey of 1,1-bis(3,3-dimethylbutoxy)cyclopentane?
The InChIKey is XLOIBLBRSFEZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-15(2,3)11-13-18-17(9-7-8-10-17)19-14-12-16(4,5)6/h7-14H2,1-6H3.
What are the key properties of 1,1-bis(3,3-dimethylbutoxy)cyclopentane?
1,1-bis(3,3-dimethylbutoxy)cyclopentane has a molecular weight of 270.46 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(3,3-dimethylbutoxy)cyclopentane is sourced from PubChem (CID 155455157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).