ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol

C15H29NO3 — CID 143663534

IUPACethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol
SMILESC=C/C(OC)=C1/NC(CO)CO/C1=C/C.CC.CC
InChIInChI=1S/C11H17NO3.2C2H6/c1-4-9(14-3)11-10(5-2)15-7-8(6-13)12-11;2*1-2/h4-5,8,12-13H,1,6-7H2,2-3H3;2*1-2H3/b10-5+,11-9-;;
InChIKeyNCPQVSPXUQPNRW-NYAYQNQXSA-N
MW271.40 g/mol
LogP2.97
Rot. Bonds3

About ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol

ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol (PubChem CID 143663534) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol.

Molecular Properties

Compound Nameethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol
PubChem CID143663534
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nameethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol
SMILESC=C/C(OC)=C1/NC(CO)CO/C1=C/C.CC.CC
InChIInChI=1S/C11H17NO3.2C2H6/c1-4-9(14-3)11-10(5-2)15-7-8(6-13)12-11;2*1-2/h4-5,8,12-13H,1,6-7H2,2-3H3;2*1-2H3/b10-5+,11-9-;;
InChIKeyNCPQVSPXUQPNRW-NYAYQNQXSA-N
XLogP2.97
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol?
The IUPAC name of ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol (CID 143663534) is ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol.
What is the SMILES notation for ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol?
The canonical SMILES for ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol is C=C/C(OC)=C1/NC(CO)CO/C1=C/C.CC.CC.
What is the InChIKey of ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol?
The InChIKey is NCPQVSPXUQPNRW-NYAYQNQXSA-N. The full InChI is InChI=1S/C11H17NO3.2C2H6/c1-4-9(14-3)11-10(5-2)15-7-8(6-13)12-11;2*1-2/h4-5,8,12-13H,1,6-7H2,2-3H3;2*1-2H3/b10-5+,11-9-;;.
What are the key properties of ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol?
ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol has a molecular weight of 271.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(5Z,6E)-6-ethylidene-5-(1-methoxyprop-2-enylidene)morpholin-3-yl]methanol is sourced from PubChem (CID 143663534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).