diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane

C12H25BO — CID 5366257

IUPACdiethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane
SMILESCCB(CC)/C(CC)=C(\CC)COC
InChIInChI=1S/C12H25BO/c1-6-11(10-14-5)12(7-2)13(8-3)9-4/h6-10H2,1-5H3/b12-11+
InChIKeyKGTVPYUDJZYEGR-VAWYXSNFSA-N
MW196.14 g/mol
LogP3.82
Rot. Bonds7

About diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane

diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane (PubChem CID 5366257) has the molecular formula C12H25BO and a molecular weight of 196.14 g/mol. Its IUPAC name is diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane.

Molecular Properties

Compound Namediethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane
PubChem CID5366257
Molecular FormulaC12H25BO
Molecular Weight196.14 g/mol
Exact Mass196.20
IUPAC Namediethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane
SMILESCCB(CC)/C(CC)=C(\CC)COC
InChIInChI=1S/C12H25BO/c1-6-11(10-14-5)12(7-2)13(8-3)9-4/h6-10H2,1-5H3/b12-11+
InChIKeyKGTVPYUDJZYEGR-VAWYXSNFSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 134903557
CID 134903557
CID 134903619
CID 134903619
CID 134978630
CID 134978630
CID 101279186
CID 101279186
CID 21134687
CID 21134687
CID 68373374
CID 68373374
CID 91515777
CID 91515777
CID 123765053
CID 123765053
CID 141982611
CID 141982611
CID 145304532
CID 145304532
CID 172593077
CID 172593077
CID 551430
CID 551430

Frequently Asked Questions

What is the IUPAC name of diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane?
The IUPAC name of diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane (CID 5366257) is diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane.
What is the SMILES notation for diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane?
The canonical SMILES for diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane is CCB(CC)/C(CC)=C(\CC)COC.
What is the InChIKey of diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane?
The InChIKey is KGTVPYUDJZYEGR-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H25BO/c1-6-11(10-14-5)12(7-2)13(8-3)9-4/h6-10H2,1-5H3/b12-11+.
What are the key properties of diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane?
diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane has a molecular weight of 196.14 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(Z)-4-(methoxymethyl)hex-3-en-3-yl]borane is sourced from PubChem (CID 5366257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).