2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate

C18H34O3 — CID 150627541

IUPAC2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCCCCCC)C(C)(C)OC
InChIInChI=1S/C18H34O3/c1-7-8-9-10-11-12-13-16(18(4,5)20-6)14-21-17(19)15(2)3/h16H,2,7-14H2,1,3-6H3
InChIKeyIXFANHNVRDKGKJ-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.90
Rot. Bonds12

About 2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate

2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate (PubChem CID 150627541) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate
PubChem CID150627541
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCCCCCC)C(C)(C)OC
InChIInChI=1S/C18H34O3/c1-7-8-9-10-11-12-13-16(18(4,5)20-6)14-21-17(19)15(2)3/h16H,2,7-14H2,1,3-6H3
InChIKeyIXFANHNVRDKGKJ-UHFFFAOYSA-N
XLogP4.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1-dipropoxyethyl)decyl 2-methylprop-2-enoate
CID 150853964
2-(tripropoxymethyl)decyl 2-methylprop-2-enoate
CID 151527523
2-hexadecyldocosyl 2-methylprop-2-enoate
CID 140764286
2-heptylundecyl 2-methylprop-2-enoate
CID 90816570
4-tert-butyldodecyl 2-methylprop-2-enoate
CID 151688147
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
CID 99121360
3-(2-bromopropan-2-yl)heptadecyl 2-methylprop-2-enoate
CID 141440085
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
4-(3-ethylpentan-3-yl)dodecyl 2-methylprop-2-enoate
CID 151684910
2-cyanooctyl 2-methylprop-2-enoate
CID 139633451
2-(2-methoxypropan-2-yl)decan-1-amine
CID 150082412
3-methylhexadecyl 2-methylprop-2-enoate
CID 140601644

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate (CID 150627541) is 2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCCCCCCC)C(C)(C)OC.
What is the InChIKey of 2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate?
The InChIKey is IXFANHNVRDKGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-7-8-9-10-11-12-13-16(18(4,5)20-6)14-21-17(19)15(2)3/h16H,2,7-14H2,1,3-6H3.
What are the key properties of 2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate?
2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate has a molecular weight of 298.47 g/mol, XLogP of 4.90, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)decyl 2-methylprop-2-enoate is sourced from PubChem (CID 150627541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).