hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane

C15H32O2Si — CID 10754689

IUPAChydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane
SMILESC=CC[C@@H](O[C@H](CCCCC)[Si](C)(C)O)C(C)C
InChIInChI=1S/C15H32O2Si/c1-7-9-10-12-15(18(5,6)16)17-14(11-8-2)13(3)4/h8,13-16H,2,7,9-12H2,1,3-6H3/t14-,15+/m1/s1
InChIKeyBBDQOAVHXFYWFJ-CABCVRRESA-N
MW272.50 g/mol
LogP4.29
Rot. Bonds10

About hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane

hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane (PubChem CID 10754689) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane.

Molecular Properties

Compound Namehydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane
PubChem CID10754689
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Namehydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane
SMILESC=CC[C@@H](O[C@H](CCCCC)[Si](C)(C)O)C(C)C
InChIInChI=1S/C15H32O2Si/c1-7-9-10-12-15(18(5,6)16)17-14(11-8-2)13(3)4/h8,13-16H,2,7,9-12H2,1,3-6H3/t14-,15+/m1/s1
InChIKeyBBDQOAVHXFYWFJ-CABCVRRESA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
CID 151528866
Silane, dimethyl(pent-4-en-2-yloxy)isohexyloxy-
CID 91698385
tert-butyl-dimethyl-[(3R,4R)-3-methyloct-1-en-4-yl]peroxysilane
CID 102012577
tert-butyl-dimethyl-[(3S,4R)-3-methyloct-1-en-4-yl]peroxysilane
CID 134928900
fluoro-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane
CID 10754830
4-Methoxy-6-methyl-3-(trimethylsilyl)methyl-1-heptene
CID 101635045
(3R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylhex-5-en-3-ol
CID 46217751
Tert-butyl-(3-ethenyloxan-4-yl)oxy-dimethylsilane
CID 58654193
tert-butyl-[(3S,4R,5S)-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane
CID 60090221
[(4R,5S)-4-butoxy-5-methylhept-6-enoxy]-tert-butyl-dimethylsilane
CID 89367116
tert-butyl-dimethyl-[(1S)-1-(oxan-4-yl)but-3-enoxy]silane
CID 141638133

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane?
The IUPAC name of hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane (CID 10754689) is hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane.
What is the SMILES notation for hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane?
The canonical SMILES for hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane is C=CC[C@@H](O[C@H](CCCCC)[Si](C)(C)O)C(C)C.
What is the InChIKey of hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane?
The InChIKey is BBDQOAVHXFYWFJ-CABCVRRESA-N. The full InChI is InChI=1S/C15H32O2Si/c1-7-9-10-12-15(18(5,6)16)17-14(11-8-2)13(3)4/h8,13-16H,2,7,9-12H2,1,3-6H3/t14-,15+/m1/s1.
What are the key properties of hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane?
hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane has a molecular weight of 272.50 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[(1S)-1-[(3R)-2-methylhex-5-en-3-yl]oxyhexyl]silane is sourced from PubChem (CID 10754689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).