tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol

C65H138O13 — CID 175381751

IUPACtetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol
SMILESC=COC=C.C=COC=C.C=COC=C.C=COC=C.CCCCOCCCC.CCCCOCCCC.CCCCOCCCC.CCCCOCCCC.CCOCC.CCOCC.CCOCC.CCOCC(C)O
InChIInChI=1S/4C8H18O.C5H12O2.3C4H10O.4C4H6O/c4*1-3-5-7-9-8-6-4-2;1-3-7-4-5(2)6;7*1-3-5-4-2/h4*3-8H2,1-2H3;5-6H,3-4H2,1-2H3;3*3-4H2,1-2H3;4*3-4H,1-2H2
InChIKeyOSWCWKXDDLDYMG-UHFFFAOYSA-N
MW1127.81 g/mol
LogP19.10
Rot. Bonds41

About tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol

tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol (PubChem CID 175381751) has the molecular formula C65H138O13 and a molecular weight of 1127.81 g/mol. Its IUPAC name is tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol.

Molecular Properties

Compound Nametetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol
PubChem CID175381751
Molecular FormulaC65H138O13
Molecular Weight1127.81 g/mol
Exact Mass1127.01
IUPAC Nametetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol
SMILESC=COC=C.C=COC=C.C=COC=C.C=COC=C.CCCCOCCCC.CCCCOCCCC.CCCCOCCCC.CCCCOCCCC.CCOCC.CCOCC.CCOCC.CCOCC(C)O
InChIInChI=1S/4C8H18O.C5H12O2.3C4H10O.4C4H6O/c4*1-3-5-7-9-8-6-4-2;1-3-7-4-5(2)6;7*1-3-5-4-2/h4*3-8H2,1-2H3;5-6H,3-4H2,1-2H3;3*3-4H2,1-2H3;4*3-4H,1-2H2
InChIKeyOSWCWKXDDLDYMG-UHFFFAOYSA-N
XLogP19.10
TPSA130.99 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds41
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001127.81
LogP ≤ 519.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-butoxypropan-2-ol
CID 54289557
1-butoxypropan-2-ol;ethane-1,2-diol;ethene
CID 161226770
butan-1-ol;1-ethoxypropan-2-ol
CID 158715656
1-(butoxymethoxy)propan-2-ol
CID 131855718
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
1-tridecoxypropan-2-ol
CID 19798268
(2S)-1-octoxypropan-2-ol
CID 55250295
2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 88684060
butane-2,3-diol;1-butoxybutane
CID 87169993
1-butoxypropan-2-ol;propanoic acid
CID 87504807
1-(3-butoxypropoxy)butane;propane-1,2-diol
CID 87596955
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol?
The IUPAC name of tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol (CID 175381751) is tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol.
What is the SMILES notation for tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol?
The canonical SMILES for tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol is C=COC=C.C=COC=C.C=COC=C.C=COC=C.CCCCOCCCC.CCCCOCCCC.CCCCOCCCC.CCCCOCCCC.CCOCC.CCOCC.CCOCC.CCOCC(C)O.
What is the InChIKey of tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol?
The InChIKey is OSWCWKXDDLDYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H18O.C5H12O2.3C4H10O.4C4H6O/c4*1-3-5-7-9-8-6-4-2;1-3-7-4-5(2)6;7*1-3-5-4-2/h4*3-8H2,1-2H3;5-6H,3-4H2,1-2H3;3*3-4H2,1-2H3;4*3-4H,1-2H2.
What are the key properties of tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol?
tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol has a molecular weight of 1127.81 g/mol, XLogP of 19.10, 41 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-butoxybutane);ethenoxyethene;ethoxyethane;1-ethoxypropan-2-ol is sourced from PubChem (CID 175381751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).