1,1,1-tripropoxydecan-2-ylcyclopropane

C22H44O3 — CID 151363480

IUPAC1,1,1-tripropoxydecan-2-ylcyclopropane
SMILESCCCCCCCCC(C1CC1)C(OCCC)(OCCC)OCCC
InChIInChI=1S/C22H44O3/c1-5-9-10-11-12-13-14-21(20-15-16-20)22(23-17-6-2,24-18-7-3)25-19-8-4/h20-21H,5-19H2,1-4H3
InChIKeyOOYCWSAGJRZZPK-UHFFFAOYSA-N
MW356.59 g/mol
LogP6.70
Rot. Bonds18

About 1,1,1-tripropoxydecan-2-ylcyclopropane

1,1,1-tripropoxydecan-2-ylcyclopropane (PubChem CID 151363480) has the molecular formula C22H44O3 and a molecular weight of 356.59 g/mol. Its IUPAC name is 1,1,1-tripropoxydecan-2-ylcyclopropane.

Molecular Properties

Compound Name1,1,1-tripropoxydecan-2-ylcyclopropane
PubChem CID151363480
Molecular FormulaC22H44O3
Molecular Weight356.59 g/mol
Exact Mass356.33
IUPAC Name1,1,1-tripropoxydecan-2-ylcyclopropane
SMILESCCCCCCCCC(C1CC1)C(OCCC)(OCCC)OCCC
InChIInChI=1S/C22H44O3/c1-5-9-10-11-12-13-14-21(20-15-16-20)22(23-17-6-2,24-18-7-3)25-19-8-4/h20-21H,5-19H2,1-4H3
InChIKeyOOYCWSAGJRZZPK-UHFFFAOYSA-N
XLogP6.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5-pentafluoro-6-[4-(1,1,1-tripropoxydecan-2-yl)cyclohexyl]benzene
CID 151748375
(1-cyclooctyl-1,1-dipropoxydecan-2-yl)cyclooctane
CID 152602584
(1-cyclopropyl-1,1-dimethoxydecan-2-yl)cyclopropane
CID 151507432
2-decoxy-1,1,1-tripropoxydecane
CID 161487302
1-iodo-4-(tripropoxymethyl)dodecane
CID 151194630
1-iodo-5-(tripropoxymethyl)tridecane
CID 150356922
1-cyclopropyloctylcyclopropane
CID 141276542
(2-chloro-2-methylnonadecan-3-yl)cyclohexane
CID 70371697
octan-2-ylcyclopropane
CID 18968125
5-(tripropoxymethyl)tridecanenitrile
CID 152551065
1,1,2-tricyclohexyldodecylphosphane
CID 67839264
5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene
CID 150250657

Frequently Asked Questions

What is the IUPAC name of 1,1,1-tripropoxydecan-2-ylcyclopropane?
The IUPAC name of 1,1,1-tripropoxydecan-2-ylcyclopropane (CID 151363480) is 1,1,1-tripropoxydecan-2-ylcyclopropane.
What is the SMILES notation for 1,1,1-tripropoxydecan-2-ylcyclopropane?
The canonical SMILES for 1,1,1-tripropoxydecan-2-ylcyclopropane is CCCCCCCCC(C1CC1)C(OCCC)(OCCC)OCCC.
What is the InChIKey of 1,1,1-tripropoxydecan-2-ylcyclopropane?
The InChIKey is OOYCWSAGJRZZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O3/c1-5-9-10-11-12-13-14-21(20-15-16-20)22(23-17-6-2,24-18-7-3)25-19-8-4/h20-21H,5-19H2,1-4H3.
What are the key properties of 1,1,1-tripropoxydecan-2-ylcyclopropane?
1,1,1-tripropoxydecan-2-ylcyclopropane has a molecular weight of 356.59 g/mol, XLogP of 6.70, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-tripropoxydecan-2-ylcyclopropane is sourced from PubChem (CID 151363480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).