1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one

C19H30O4Si — CID 175513554

IUPAC1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](C(=O)C(=C)C)(C(=O)C(=C)C)C(CC)CCCOC
InChIInChI=1S/C19H30O4Si/c1-9-16(11-10-12-23-8)24(17(20)13(2)3,18(21)14(4)5)19(22)15(6)7/h16H,2,4,6,9-12H2,1,3,5,7-8H3
InChIKeyIPRSHRDTMPYDCC-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.70
Rot. Bonds12

About 1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one

1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one (PubChem CID 175513554) has the molecular formula C19H30O4Si and a molecular weight of 350.53 g/mol. Its IUPAC name is 1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one
PubChem CID175513554
Molecular FormulaC19H30O4Si
Molecular Weight350.53 g/mol
Exact Mass350.19
IUPAC Name1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)[Si](C(=O)C(=C)C)(C(=O)C(=C)C)C(CC)CCCOC
InChIInChI=1S/C19H30O4Si/c1-9-16(11-10-12-23-8)24(17(20)13(2)3,18(21)14(4)5)19(22)15(6)7/h16H,2,4,6,9-12H2,1,3,5,7-8H3
InChIKeyIPRSHRDTMPYDCC-UHFFFAOYSA-N
XLogP3.70
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one with MolForge

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Related Compounds

5-amino-8-methoxy-2-methyloct-1-en-4-one
CID 116593842
6-methoxy-2-methylhex-1-en-3-ol
CID 105110564
N-ethyl-6-methoxy-2-methylhex-1-en-3-amine
CID 79177505
7-methoxy-4-methylheptan-3-one
CID 63548280
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
5-methoxy-2-(pentan-2-ylamino)pentanoic acid
CID 107886535
3-(3-methoxypropyl)hex-5-en-2-one
CID 59857922
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
3-(2-chloroethyl)-6-methoxyhexan-2-one
CID 103344104
4-amino-6-methoxy-2-methylhex-1-en-3-one
CID 116567275
2-ethyl-5-methoxypentan-1-ol
CID 66059836
(2R)-2-ethyl-5-methoxypentan-1-ol
CID 59157920

Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one?
The IUPAC name of 1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one (CID 175513554) is 1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one?
The canonical SMILES for 1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one is C=C(C)C(=O)[Si](C(=O)C(=C)C)(C(=O)C(=C)C)C(CC)CCCOC.
What is the InChIKey of 1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one?
The InChIKey is IPRSHRDTMPYDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4Si/c1-9-16(11-10-12-23-8)24(17(20)13(2)3,18(21)14(4)5)19(22)15(6)7/h16H,2,4,6,9-12H2,1,3,5,7-8H3.
What are the key properties of 1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one?
1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one has a molecular weight of 350.53 g/mol, XLogP of 3.70, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxyhexan-3-yl-bis(2-methylprop-2-enoyl)silyl]-2-methylprop-2-en-1-one is sourced from PubChem (CID 175513554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).