5,8-dimethyldecan-5-yl prop-2-enoate

C15H28O2 — CID 175185909

IUPAC5,8-dimethyldecan-5-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(CCCC)CCC(C)CC
InChIInChI=1S/C15H28O2/c1-6-9-11-15(5,17-14(16)8-3)12-10-13(4)7-2/h8,13H,3,6-7,9-12H2,1-2,4-5H3
InChIKeyCGCNBXJJHFSBBN-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.49
Rot. Bonds9

About 5,8-dimethyldecan-5-yl prop-2-enoate

5,8-dimethyldecan-5-yl prop-2-enoate (PubChem CID 175185909) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5,8-dimethyldecan-5-yl prop-2-enoate.

Molecular Properties

Compound Name5,8-dimethyldecan-5-yl prop-2-enoate
PubChem CID175185909
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5,8-dimethyldecan-5-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(CCCC)CCC(C)CC
InChIInChI=1S/C15H28O2/c1-6-9-11-15(5,17-14(16)8-3)12-10-13(4)7-2/h8,13H,3,6-7,9-12H2,1-2,4-5H3
InChIKeyCGCNBXJJHFSBBN-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylhexan-3-yl prop-2-enoate
CID 87498844
(8-hydroxy-4-methyloctan-4-yl) prop-2-enoate
CID 174476432
6-methyl-2-pentyl-6-prop-2-enoyloxyheptanoic acid
CID 174810891
4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
CID 141007070
7-pentyltridecan-7-yl prop-2-enoate
CID 166072578
(3-ethyl-4-methyloctan-3-yl) prop-2-enoate
CID 164546565
(3-butyl-3-methyldecan-2-yl) prop-2-enoate
CID 138569180
4-methylhexyl prop-2-enoate
CID 58980362
(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate
CID 131723135
(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate
CID 131723132
(3-ethyl-4,4-dimethyldecan-3-yl) prop-2-enoate
CID 164546468
5-ethenylnonan-5-yl 3-methylpentyl carbonate
CID 139639117

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyldecan-5-yl prop-2-enoate?
The IUPAC name of 5,8-dimethyldecan-5-yl prop-2-enoate (CID 175185909) is 5,8-dimethyldecan-5-yl prop-2-enoate.
What is the SMILES notation for 5,8-dimethyldecan-5-yl prop-2-enoate?
The canonical SMILES for 5,8-dimethyldecan-5-yl prop-2-enoate is C=CC(=O)OC(C)(CCCC)CCC(C)CC.
What is the InChIKey of 5,8-dimethyldecan-5-yl prop-2-enoate?
The InChIKey is CGCNBXJJHFSBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-6-9-11-15(5,17-14(16)8-3)12-10-13(4)7-2/h8,13H,3,6-7,9-12H2,1-2,4-5H3.
What are the key properties of 5,8-dimethyldecan-5-yl prop-2-enoate?
5,8-dimethyldecan-5-yl prop-2-enoate has a molecular weight of 240.39 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyldecan-5-yl prop-2-enoate is sourced from PubChem (CID 175185909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).