1,1-dipropoxycyclodecane

C16H32O2 — CID 89439642

IUPAC1,1-dipropoxycyclodecane
SMILESCCCOC1(OCCC)CCCCCCCCC1
InChIInChI=1S/C16H32O2/c1-3-14-17-16(18-15-4-2)12-10-8-6-5-7-9-11-13-16/h3-15H2,1-2H3
InChIKeyCRPSOIWTPLXNKZ-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.06
Rot. Bonds6

About 1,1-dipropoxycyclodecane

1,1-dipropoxycyclodecane (PubChem CID 89439642) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1,1-dipropoxycyclodecane.

Molecular Properties

Compound Name1,1-dipropoxycyclodecane
PubChem CID89439642
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1,1-dipropoxycyclodecane
SMILESCCCOC1(OCCC)CCCCCCCCC1
InChIInChI=1S/C16H32O2/c1-3-14-17-16(18-15-4-2)12-10-8-6-5-7-9-11-13-16/h3-15H2,1-2H3
InChIKeyCRPSOIWTPLXNKZ-UHFFFAOYSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.06
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

1,1-dipropoxycyclononane;trimethylphosphane;hydroiodide
CID 175350547
1,1-dibutoxycyclooctane
CID 18791994
1,1-dibutoxycyclopentane
CID 18792031
1,1-bis(hept-3-enoxy)cyclohexane
CID 69187054
1-propoxycyclohexan-1-ol
CID 54523589
1,1-dipropoxycyclononane;thiophen-2-ylmethylphosphane;hydroiodide
CID 175266669
1-ethoxy-1-(1-ethoxycyclohexyl)oxycyclohexane
CID 154120160
1,1-bis(3-chloropropoxy)cyclohexane
CID 139677347
1,1-bis(3,3-dimethylbutoxy)cyclopentane
CID 155455157
1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane
CID 10726344
(1-propoxycyclobutyl)methanol
CID 151153124
1-ethyl-1-propoxycyclopropane
CID 59107418

Frequently Asked Questions

What is the IUPAC name of 1,1-dipropoxycyclodecane?
The IUPAC name of 1,1-dipropoxycyclodecane (CID 89439642) is 1,1-dipropoxycyclodecane.
What is the SMILES notation for 1,1-dipropoxycyclodecane?
The canonical SMILES for 1,1-dipropoxycyclodecane is CCCOC1(OCCC)CCCCCCCCC1.
What is the InChIKey of 1,1-dipropoxycyclodecane?
The InChIKey is CRPSOIWTPLXNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-14-17-16(18-15-4-2)12-10-8-6-5-7-9-11-13-16/h3-15H2,1-2H3.
What are the key properties of 1,1-dipropoxycyclodecane?
1,1-dipropoxycyclodecane has a molecular weight of 256.43 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dipropoxycyclodecane is sourced from PubChem (CID 89439642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).