methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane

C51H136O10 — CID 158581549

IUPACmethane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCCOCC(OCCC)C(OCCC)C(COCOCC(OCCC)C(OCCC)C(COCCC)OCCC)OCCC
InChIInChI=1S/C35H72O10.16CH4/c1-9-17-36-25-30(40-19-11-3)34(44-23-15-7)32(42-21-13-5)27-38-29-39-28-33(43-22-14-6)35(45-24-16-8)31(41-20-12-4)26-37-18-10-2;;;;;;;;;;;;;;;;/h30-35H,9-29H2,1-8H3;16*1H4
InChIKeyHTHUGFBAZZWNSN-UHFFFAOYSA-N
MW909.64 g/mol
LogP16.78
Rot. Bonds36

About methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane

methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane (PubChem CID 158581549) has the molecular formula C51H136O10 and a molecular weight of 909.64 g/mol. Its IUPAC name is methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane.

Molecular Properties

Compound Namemethane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane
PubChem CID158581549
Molecular FormulaC51H136O10
Molecular Weight909.64 g/mol
Exact Mass909.01
IUPAC Namemethane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCCOCC(OCCC)C(OCCC)C(COCOCC(OCCC)C(OCCC)C(COCCC)OCCC)OCCC
InChIInChI=1S/C35H72O10.16CH4/c1-9-17-36-25-30(40-19-11-3)34(44-23-15-7)32(42-21-13-5)27-38-29-39-28-33(43-22-14-6)35(45-24-16-8)31(41-20-12-4)26-37-18-10-2;;;;;;;;;;;;;;;;/h30-35H,9-29H2,1-8H3;16*1H4
InChIKeyHTHUGFBAZZWNSN-UHFFFAOYSA-N
XLogP16.78
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds36
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.64
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

(2R,3R,4R,5S)-1,2,3,4,5,6-hexapropoxyhexane
CID 87742557
4-[5-butoxy-2,3,4-tris(3-cyanopropoxy)pentoxy]butanenitrile
CID 170037344
1,2,3,4-tetraethoxy-5-[4-(2,3,4,5-tetraethoxypentoxy)butoxy]pentane
CID 129150171
1,3-bis(propoxymethoxy)propane;methane
CID 164971527
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
CID 59269514
CID 59269514
butyl(1,2-dipropoxyethoxy)silane
CID 123351057
4-[2,3,4,5-tetrakis(3-cyanopropoxy)pentoxy]butanenitrile
CID 170011516
2-propoxy-1-(2-propoxyethoxy)hexane
CID 91395495
N-methyl-2,3-dipropoxypropan-1-amine
CID 21133087
[(2R,3R,4S,5E)-5-methoxyimino-1,3,4-tripropoxypentan-2-yl] methanesulfonate
CID 118336424

Frequently Asked Questions

What is the IUPAC name of methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane?
The IUPAC name of methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane (CID 158581549) is methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane.
What is the SMILES notation for methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane?
The canonical SMILES for methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCCOCC(OCCC)C(OCCC)C(COCOCC(OCCC)C(OCCC)C(COCCC)OCCC)OCCC.
What is the InChIKey of methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane?
The InChIKey is HTHUGFBAZZWNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72O10.16CH4/c1-9-17-36-25-30(40-19-11-3)34(44-23-15-7)32(42-21-13-5)27-38-29-39-28-33(43-22-14-6)35(45-24-16-8)31(41-20-12-4)26-37-18-10-2;;;;;;;;;;;;;;;;/h30-35H,9-29H2,1-8H3;16*1H4.
What are the key properties of methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane?
methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane has a molecular weight of 909.64 g/mol, XLogP of 16.78, 36 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,2,3,4-tetrapropoxy-5-(2,3,4,5-tetrapropoxypentoxymethoxy)pentane is sourced from PubChem (CID 158581549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).