hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane

C14H28OSi — CID 155490230

IUPAChept-1-yn-3-yl-methoxy-di(propan-2-yl)silane
SMILESC#CC(CCCC)[Si](OC)(C(C)C)C(C)C
InChIInChI=1S/C14H28OSi/c1-8-10-11-14(9-2)16(15-7,12(3)4)13(5)6/h2,12-14H,8,10-11H2,1,3-7H3
InChIKeyNSGMOSMSZIZSBS-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.59
Rot. Bonds7

About hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane

hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane (PubChem CID 155490230) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane.

Molecular Properties

Compound Namehept-1-yn-3-yl-methoxy-di(propan-2-yl)silane
PubChem CID155490230
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Namehept-1-yn-3-yl-methoxy-di(propan-2-yl)silane
SMILESC#CC(CCCC)[Si](OC)(C(C)C)C(C)C
InChIInChI=1S/C14H28OSi/c1-8-10-11-14(9-2)16(15-7,12(3)4)13(5)6/h2,12-14H,8,10-11H2,1,3-7H3
InChIKeyNSGMOSMSZIZSBS-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, (3-butynyloxy)tris(1-methylethyl)-
CID 10857164
Hept-1-ynyl-hydroxy-dimethylsilane
CID 11275270
(Hex-1-yn-1-yloxy)triisopropylsilane
CID 11821158
1-(tert-Butyldimethylsiloxy)-2,7-octadiyne
CID 44543485
tert-Butyldimethyl(oct-2-yn-1-yloxy)silane
CID 11791326
Butyl-but-3-ynoxy-dimethylsilane
CID 53727375
Trimethoxy(pent-4-ynyl)silane
CID 59533713
Tert-butyl-hydroxy-dimethylsilane;hept-1-yne
CID 87257109
Triethyl(oct-1-ynoxy)silane
CID 87396750
Trimethoxy(oct-7-ynyl)silane
CID 87600265
Butyl-hept-1-ynoxy-dimethylsilane
CID 87948017
Butyl-hex-1-ynoxy-dimethylsilane
CID 87948062

Frequently Asked Questions

What is the IUPAC name of hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane?
The IUPAC name of hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane (CID 155490230) is hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane.
What is the SMILES notation for hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane?
The canonical SMILES for hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane is C#CC(CCCC)[Si](OC)(C(C)C)C(C)C.
What is the InChIKey of hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane?
The InChIKey is NSGMOSMSZIZSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-8-10-11-14(9-2)16(15-7,12(3)4)13(5)6/h2,12-14H,8,10-11H2,1,3-7H3.
What are the key properties of hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane?
hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane has a molecular weight of 240.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-yn-3-yl-methoxy-di(propan-2-yl)silane is sourced from PubChem (CID 155490230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).