deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide

C30H41NO5 — CID 159547540

IUPACdeca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide
SMILESC#CC#CC#CC#CC#C.CC(=O)NCCCCCCO[C@H]1[C@H](C)OC(COC(C)C)[C@H]1OC(C)C
InChIInChI=1S/C20H39NO5.C10H2/c1-14(2)24-13-18-20(25-15(3)4)19(16(5)26-18)23-12-10-8-7-9-11-21-17(6)22;1-3-5-7-9-10-8-6-4-2/h14-16,18-20H,7-13H2,1-6H3,(H,21,22);1-2H/t16-,18?,19-,20+;/m0./s1
InChIKeyMEZGGESUUODIKV-BNIXUCQCSA-N
MW495.66 g/mol
LogP3.34
Rot. Bonds13

About deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide

deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide (PubChem CID 159547540) has the molecular formula C30H41NO5 and a molecular weight of 495.66 g/mol. Its IUPAC name is deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide.

Molecular Properties

Compound Namedeca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide
PubChem CID159547540
Molecular FormulaC30H41NO5
Molecular Weight495.66 g/mol
Exact Mass495.30
IUPAC Namedeca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide
SMILESC#CC#CC#CC#CC#C.CC(=O)NCCCCCCO[C@H]1[C@H](C)OC(COC(C)C)[C@H]1OC(C)C
InChIInChI=1S/C20H39NO5.C10H2/c1-14(2)24-13-18-20(25-15(3)4)19(16(5)26-18)23-12-10-8-7-9-11-21-17(6)22;1-3-5-7-9-10-8-6-4-2/h14-16,18-20H,7-13H2,1-6H3,(H,21,22);1-2H/t16-,18?,19-,20+;/m0./s1
InChIKeyMEZGGESUUODIKV-BNIXUCQCSA-N
XLogP3.34
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.66
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide?
The IUPAC name of deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide (CID 159547540) is deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide.
What is the SMILES notation for deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide?
The canonical SMILES for deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide is C#CC#CC#CC#CC#C.CC(=O)NCCCCCCO[C@H]1[C@H](C)OC(COC(C)C)[C@H]1OC(C)C.
What is the InChIKey of deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide?
The InChIKey is MEZGGESUUODIKV-BNIXUCQCSA-N. The full InChI is InChI=1S/C20H39NO5.C10H2/c1-14(2)24-13-18-20(25-15(3)4)19(16(5)26-18)23-12-10-8-7-9-11-21-17(6)22;1-3-5-7-9-10-8-6-4-2/h14-16,18-20H,7-13H2,1-6H3,(H,21,22);1-2H/t16-,18?,19-,20+;/m0./s1.
What are the key properties of deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide?
deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide has a molecular weight of 495.66 g/mol, XLogP of 3.34, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for deca-1,3,5,7,9-pentayne;N-[6-[(2S,3S,4R)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-3-yl]oxyhexyl]acetamide is sourced from PubChem (CID 159547540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).