2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane

C17H30O2 — CID 85231493

IUPAC2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane
SMILESC(CCCC1CC1C1CC1)CCOC1CCCCO1
InChIInChI=1S/C17H30O2/c1(3-7-15-13-16(15)14-9-10-14)2-5-11-18-17-8-4-6-12-19-17/h14-17H,1-13H2
InChIKeyALVFVDPZRQOVJD-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.53
Rot. Bonds9

About 2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane

2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane (PubChem CID 85231493) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane.

Molecular Properties

Compound Name2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane
PubChem CID85231493
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane
SMILESC(CCCC1CC1C1CC1)CCOC1CCCCO1
InChIInChI=1S/C17H30O2/c1(3-7-15-13-16(15)14-9-10-14)2-5-11-18-17-8-4-6-12-19-17/h14-17H,1-13H2
InChIKeyALVFVDPZRQOVJD-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(oxiran-2-yl)pentoxy]oxane
CID 169009121
2-[6-(oxiran-2-yl)hexoxy]oxane
CID 177274031
[(1S,2R)-2-[5-(oxan-2-yloxy)pentyl]cyclopropyl]methanol
CID 10890082
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(18-iodooctadecoxy)oxane
CID 86124950
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
2-octacosoxyoxane
CID 11214102
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(12-chlorododecoxy)oxane
CID 14014573
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane?
The IUPAC name of 2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane (CID 85231493) is 2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane.
What is the SMILES notation for 2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane?
The canonical SMILES for 2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane is C(CCCC1CC1C1CC1)CCOC1CCCCO1.
What is the InChIKey of 2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane?
The InChIKey is ALVFVDPZRQOVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1(3-7-15-13-16(15)14-9-10-14)2-5-11-18-17-8-4-6-12-19-17/h14-17H,1-13H2.
What are the key properties of 2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane?
2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane has a molecular weight of 266.42 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-cyclopropylcyclopropyl)hexoxy]oxane is sourced from PubChem (CID 85231493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).