2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid

C17H28O2Si — CID 173314680

IUPAC2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid
SMILESC=CCC(CC=C)=C(C(=O)O)[SiH](CC=C)CCCCC
InChIInChI=1S/C17H28O2Si/c1-5-9-10-14-20(13-8-4)16(17(18)19)15(11-6-2)12-7-3/h6-8,20H,2-5,9-14H2,1H3,(H,18,19)
InChIKeyXAKVKZYUXVREHF-UHFFFAOYSA-N
MW292.50 g/mol
LogP4.66
Rot. Bonds12

About 2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid

2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid (PubChem CID 173314680) has the molecular formula C17H28O2Si and a molecular weight of 292.50 g/mol. Its IUPAC name is 2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid.

Molecular Properties

Compound Name2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid
PubChem CID173314680
Molecular FormulaC17H28O2Si
Molecular Weight292.50 g/mol
Exact Mass292.19
IUPAC Name2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid
SMILESC=CCC(CC=C)=C(C(=O)O)[SiH](CC=C)CCCCC
InChIInChI=1S/C17H28O2Si/c1-5-9-10-14-20(13-8-4)16(17(18)19)15(11-6-2)12-7-3/h6-8,20H,2-5,9-14H2,1H3,(H,18,19)
InChIKeyXAKVKZYUXVREHF-UHFFFAOYSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-pentyl-3-prop-2-enylbut-2-enedioic acid
CID 173366116
dihexyl(prop-2-enyl)silane
CID 175543178
2-(pentoxymethylidene)pent-4-enoic acid
CID 87688784
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
hept-1-ene;2-methylprop-2-enoic acid
CID 158713562
2-but-3-enoylhexadecanoic acid
CID 175195311
icosane;oxalic acid
CID 175691290
S-hexyl but-3-enethioate
CID 10035351
acetic acid;oct-1-ene
CID 159976970
octadecan-1-ol;prop-2-enoic acid
CID 88814637
hexadecan-1-ol;bis(prop-2-enoic acid)
CID 175738657

Frequently Asked Questions

What is the IUPAC name of 2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid?
The IUPAC name of 2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid (CID 173314680) is 2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid.
What is the SMILES notation for 2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid?
The canonical SMILES for 2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid is C=CCC(CC=C)=C(C(=O)O)[SiH](CC=C)CCCCC.
What is the InChIKey of 2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid?
The InChIKey is XAKVKZYUXVREHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2Si/c1-5-9-10-14-20(13-8-4)16(17(18)19)15(11-6-2)12-7-3/h6-8,20H,2-5,9-14H2,1H3,(H,18,19).
What are the key properties of 2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid?
2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid has a molecular weight of 292.50 g/mol, XLogP of 4.66, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentyl(prop-2-enyl)silyl]-3-prop-2-enylhexa-2,5-dienoic acid is sourced from PubChem (CID 173314680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).