ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium

C30H61NOU — CID 142260235

IUPACethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium
SMILESCC.CCC.CCCCCCCCCCCCCCCCCCOC1=CCCC(N)C=C1.[U]
InChIInChI=1S/C25H47NO.C3H8.C2H6.U/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-27-25-20-18-19-24(26)21-22-25;1-3-2;1-2;/h20-22,24H,2-19,23,26H2,1H3;3H2,1-2H3;1-2H3;
InChIKeyLMNCYBMLBRVOHX-UHFFFAOYSA-N
MW689.85 g/mol
LogP10.27
Rot. Bonds18

About ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium

ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium (PubChem CID 142260235) has the molecular formula C30H61NOU and a molecular weight of 689.85 g/mol. Its IUPAC name is ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium.

Molecular Properties

Compound Nameethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium
PubChem CID142260235
Molecular FormulaC30H61NOU
Molecular Weight689.85 g/mol
Exact Mass689.53
IUPAC Nameethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium
SMILESCC.CCC.CCCCCCCCCCCCCCCCCCOC1=CCCC(N)C=C1.[U]
InChIInChI=1S/C25H47NO.C3H8.C2H6.U/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-27-25-20-18-19-24(26)21-22-25;1-3-2;1-2;/h20-22,24H,2-19,23,26H2,1H3;3H2,1-2H3;1-2H3;
InChIKeyLMNCYBMLBRVOHX-UHFFFAOYSA-N
XLogP10.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.85
LogP ≤ 510.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-heptoxycyclohexa-1,3-diene
CID 21485321
ethane;4-propoxycyclohepta-2,4-dien-1-ol
CID 143043452
2-hexoxy-5,5-dimethoxycyclohexa-1,3-diene
CID 174365510
4-[5-[(4-carbamimidoylphenyl)methoxy]pentoxy]cyclohepta-2,4-diene-1-carboximidamide;ethane
CID 143106605
2-buta-2,3-dien-2-yl-5-decoxycyclohepta-1,3,5-triene
CID 144958919
2-propoxy-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 90696568
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
4,9,14,19,24,29,31,33,35,37,39,41-dodecaoctoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18,20,23,25,28,31,33,35-octadecaene
CID 56647445
3-(4-hexoxyphenoxy)propan-1-amine
CID 90318959
2-decoxy-6-(4-pentoxyphenyl)-4a,8a-dihydronaphthalene
CID 59087623
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium?
The IUPAC name of ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium (CID 142260235) is ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium.
What is the SMILES notation for ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium?
The canonical SMILES for ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium is CC.CCC.CCCCCCCCCCCCCCCCCCOC1=CCCC(N)C=C1.[U].
What is the InChIKey of ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium?
The InChIKey is LMNCYBMLBRVOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO.C3H8.C2H6.U/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-27-25-20-18-19-24(26)21-22-25;1-3-2;1-2;/h20-22,24H,2-19,23,26H2,1H3;3H2,1-2H3;1-2H3;.
What are the key properties of ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium?
ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium has a molecular weight of 689.85 g/mol, XLogP of 10.27, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-octadecoxycyclohepta-2,4-dien-1-amine;propane;uranium is sourced from PubChem (CID 142260235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).