2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine

C17H34BNO2 — CID 142176621

IUPAC2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C=C/CC.CCC(C)C(C)(C)OB(C)OC
InChIInChI=1S/C9H21BO2.C8H13N/c1-7-8(2)9(3,4)12-10(5)11-6;1-3-4-5-6-7-8(2)9/h8H,7H2,1-6H3;4-7H,2-3,9H2,1H3/b;5-4-,7-6-
InChIKeyPASTXYJZZQVHPK-ZBRBURFXSA-N
MW295.28 g/mol
LogP4.57
Rot. Bonds8

About 2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine

2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine (PubChem CID 142176621) has the molecular formula C17H34BNO2 and a molecular weight of 295.28 g/mol. Its IUPAC name is 2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine
PubChem CID142176621
Molecular FormulaC17H34BNO2
Molecular Weight295.28 g/mol
Exact Mass295.27
IUPAC Name2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine
SMILESC=C(N)/C=C\C=C/CC.CCC(C)C(C)(C)OB(C)OC
InChIInChI=1S/C9H21BO2.C8H13N/c1-7-8(2)9(3,4)12-10(5)11-6;1-3-4-5-6-7-8(2)9/h8H,7H2,1-6H3;4-7H,2-3,9H2,1H3/b;5-4-,7-6-
InChIKeyPASTXYJZZQVHPK-ZBRBURFXSA-N
XLogP4.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine with MolForge

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Related Compounds

2,3-dimethylpentan-2-yloxyboronic acid
CID 54520879
(3Z,5Z)-2-methylideneocta-3,5-dien-1-amine
CID 143910764
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
3,6-dimethyl-7-methylidenetrideca-2,4,8,10-tetraene
CID 123823855
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
(3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene
CID 143012341
(4E,6E)-2,2-dimethylnona-4,6-dien-3-one
CID 88588845
N-[(4E,7Z,9Z)-3-methyl-6-methylidenedodeca-1,4,7,9-tetraen-4-yl]methanimine
CID 134256758
(5E)-octa-3,5-diene
CID 173104147
(3Z,5Z)-N-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-1,3,5-trien-2-amine
CID 155240504
(2E)-1-methoxyhepta-2,4-dien-2-amine
CID 178080633
ethyl hepta-2,4-dienoate
CID 54483010

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine?
The IUPAC name of 2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine (CID 142176621) is 2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine.
What is the SMILES notation for 2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine?
The canonical SMILES for 2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine is C=C(N)/C=C\C=C/CC.CCC(C)C(C)(C)OB(C)OC.
What is the InChIKey of 2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine?
The InChIKey is PASTXYJZZQVHPK-ZBRBURFXSA-N. The full InChI is InChI=1S/C9H21BO2.C8H13N/c1-7-8(2)9(3,4)12-10(5)11-6;1-3-4-5-6-7-8(2)9/h8H,7H2,1-6H3;4-7H,2-3,9H2,1H3/b;5-4-,7-6-.
What are the key properties of 2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine?
2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine has a molecular weight of 295.28 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpentan-2-yloxy-methoxy-methylborane;(3Z,5Z)-octa-1,3,5-trien-2-amine is sourced from PubChem (CID 142176621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).