ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol

C24H51NO3Sn — CID 142924888

IUPACethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol
SMILESC=C(CO)NC(O)CCCCCCCCCCCCCC.CC[Sn]COC(C)C
InChIInChI=1S/C18H37NO2.C4H9O.C2H5.Sn/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-17(2)16-20;1-4(2)5-3;1-2;/h18-21H,2-16H2,1H3;4H,3H2,1-2H3;1H2,2H3;
InChIKeyFKXKBKVSALBWKA-UHFFFAOYSA-N
MW520.39 g/mol
LogP6.00
Rot. Bonds20

About ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol

ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol (PubChem CID 142924888) has the molecular formula C24H51NO3Sn and a molecular weight of 520.39 g/mol. Its IUPAC name is ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol.

Molecular Properties

Compound Nameethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol
PubChem CID142924888
Molecular FormulaC24H51NO3Sn
Molecular Weight520.39 g/mol
Exact Mass521.29
IUPAC Nameethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol
SMILESC=C(CO)NC(O)CCCCCCCCCCCCCC.CC[Sn]COC(C)C
InChIInChI=1S/C18H37NO2.C4H9O.C2H5.Sn/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-17(2)16-20;1-4(2)5-3;1-2;/h18-21H,2-16H2,1H3;4H,3H2,1-2H3;1H2,2H3;
InChIKeyFKXKBKVSALBWKA-UHFFFAOYSA-N
XLogP6.00
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.39
LogP ≤ 56.00
H-Bond Donors ≤ 53
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

2-(Nonadecan-3-ylamino)hexadec-1-en-3-ol
CID 143093240
2-(Pentylamino)non-1-en-3-ol
CID 167158137
1-(3-Hydroxyprop-1-en-2-ylamino)pentadecan-1-ol
CID 142924890

Frequently Asked Questions

What is the IUPAC name of ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol?
The IUPAC name of ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol (CID 142924888) is ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol.
What is the SMILES notation for ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol?
The canonical SMILES for ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol is C=C(CO)NC(O)CCCCCCCCCCCCCC.CC[Sn]COC(C)C.
What is the InChIKey of ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol?
The InChIKey is FKXKBKVSALBWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2.C4H9O.C2H5.Sn/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-17(2)16-20;1-4(2)5-3;1-2;/h18-21H,2-16H2,1H3;4H,3H2,1-2H3;1H2,2H3;.
What are the key properties of ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol?
ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol has a molecular weight of 520.39 g/mol, XLogP of 6.00, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol is sourced from PubChem (CID 142924888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).