1,1-dibutoxy-1,2-di(propan-2-yloxy)decane

C24H50O4 — CID 151291565

IUPAC1,1-dibutoxy-1,2-di(propan-2-yloxy)decane
SMILESCCCCCCCCC(OC(C)C)C(OCCCC)(OCCCC)OC(C)C
InChIInChI=1S/C24H50O4/c1-8-11-14-15-16-17-18-23(27-21(4)5)24(28-22(6)7,25-19-12-9-2)26-20-13-10-3/h21-23H,8-20H2,1-7H3
InChIKeyOANNNPAKDGWFAQ-UHFFFAOYSA-N
MW402.66 g/mol
LogP7.24
Rot. Bonds20

About 1,1-dibutoxy-1,2-di(propan-2-yloxy)decane

1,1-dibutoxy-1,2-di(propan-2-yloxy)decane (PubChem CID 151291565) has the molecular formula C24H50O4 and a molecular weight of 402.66 g/mol. Its IUPAC name is 1,1-dibutoxy-1,2-di(propan-2-yloxy)decane.

Molecular Properties

Compound Name1,1-dibutoxy-1,2-di(propan-2-yloxy)decane
PubChem CID151291565
Molecular FormulaC24H50O4
Molecular Weight402.66 g/mol
Exact Mass402.37
IUPAC Name1,1-dibutoxy-1,2-di(propan-2-yloxy)decane
SMILESCCCCCCCCC(OC(C)C)C(OCCCC)(OCCCC)OC(C)C
InChIInChI=1S/C24H50O4/c1-8-11-14-15-16-17-18-23(27-21(4)5)24(28-22(6)7,25-19-12-9-2)26-20-13-10-3/h21-23H,8-20H2,1-7H3
InChIKeyOANNNPAKDGWFAQ-UHFFFAOYSA-N
XLogP7.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.66
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,1,1-tributoxy-2-methyldecane;1,1,1-triethoxy-2-methyldecane
CID 159703510
2-decoxy-1,1,1-tripropoxydecane
CID 161487302
3-(tributoxymethyl)undec-1-ene
CID 150329897
tris(1,1,2-tributoxyoctyl) phosphate
CID 87576352
5-[1,1,1-tri(propan-2-yloxy)decan-2-yl]cyclopenta-1,3-diene
CID 150250657
1,1,1-trifluoro-3-[tri(propan-2-yloxy)methyl]undecane
CID 151669303
1,1,2-tributoxyoctyl dihydrogen phosphate
CID 87576353
2-butoxy-2-propan-2-yloxybutane
CID 174800754
5-(butoxy-ethoxy-methoxymethyl)tridecane
CID 150034596
1-(2-methylprop-1-enoxy)-3-[tri(propan-2-yloxy)methyl]undecane
CID 152505877
7-[tri(propan-2-yloxy)methyl]pentadec-5-ene
CID 150643499
4-[tri(propan-2-yloxy)methyl]dodecanoic acid
CID 151455459

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutoxy-1,2-di(propan-2-yloxy)decane?
The IUPAC name of 1,1-dibutoxy-1,2-di(propan-2-yloxy)decane (CID 151291565) is 1,1-dibutoxy-1,2-di(propan-2-yloxy)decane.
What is the SMILES notation for 1,1-dibutoxy-1,2-di(propan-2-yloxy)decane?
The canonical SMILES for 1,1-dibutoxy-1,2-di(propan-2-yloxy)decane is CCCCCCCCC(OC(C)C)C(OCCCC)(OCCCC)OC(C)C.
What is the InChIKey of 1,1-dibutoxy-1,2-di(propan-2-yloxy)decane?
The InChIKey is OANNNPAKDGWFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O4/c1-8-11-14-15-16-17-18-23(27-21(4)5)24(28-22(6)7,25-19-12-9-2)26-20-13-10-3/h21-23H,8-20H2,1-7H3.
What are the key properties of 1,1-dibutoxy-1,2-di(propan-2-yloxy)decane?
1,1-dibutoxy-1,2-di(propan-2-yloxy)decane has a molecular weight of 402.66 g/mol, XLogP of 7.24, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutoxy-1,2-di(propan-2-yloxy)decane is sourced from PubChem (CID 151291565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).