2-propyl-4,7-dioxaspiro[2.4]heptane

C8H14O2 — CID 134922933

IUPAC2-propyl-4,7-dioxaspiro[2.4]heptane
SMILESCCCC1CC12OCCO2
InChIInChI=1S/C8H14O2/c1-2-3-7-6-8(7)9-4-5-10-8/h7H,2-6H2,1H3
InChIKeyCWJFQPYFQJHFML-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.55
Rot. Bonds2

About 2-propyl-4,7-dioxaspiro[2.4]heptane

2-propyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 134922933) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-propyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name2-propyl-4,7-dioxaspiro[2.4]heptane
PubChem CID134922933
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-propyl-4,7-dioxaspiro[2.4]heptane
SMILESCCCC1CC12OCCO2
InChIInChI=1S/C8H14O2/c1-2-3-7-6-8(7)9-4-5-10-8/h7H,2-6H2,1H3
InChIKeyCWJFQPYFQJHFML-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dibromo-2-propylcyclopropane
CID 13198577
2-propylspiro[2.2]pentane
CID 549029
1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane
CID 90470477
1-ethyl-1-methyl-2-propylcyclopropane
CID 72514753
1-tert-butyl-2-propylcyclopropan-1-amine
CID 79332831
4-methyl-2'-propylspiro[bicyclo[1.1.0]butane-2,1'-cyclopropane]
CID 123735498
1-(1,4-dioxaspiro[4.4]nonan-9-yl)octan-3-one
CID 152746966
9-ethyl-1,4-dioxa-7-azaspiro[4.4]nonane
CID 71756628
1-methyl-2-propylcyclopropane-1-sulfonamide
CID 146968934
(2R,3R)-2-(2-bromoethyl)-3-propyl-1,4-dioxane
CID 97304593
(1'S,5'R,6'S)-6'-ethylspiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
CID 58906732
[8,16-diethyl-12-(hydroxymethyl)-3,12-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
CID 139424095

Frequently Asked Questions

What is the IUPAC name of 2-propyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 2-propyl-4,7-dioxaspiro[2.4]heptane (CID 134922933) is 2-propyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 2-propyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 2-propyl-4,7-dioxaspiro[2.4]heptane is CCCC1CC12OCCO2.
What is the InChIKey of 2-propyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is CWJFQPYFQJHFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-7-6-8(7)9-4-5-10-8/h7H,2-6H2,1H3.
What are the key properties of 2-propyl-4,7-dioxaspiro[2.4]heptane?
2-propyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 142.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 134922933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).