3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane

C18H36 — CID 123271163

IUPAC3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane
SMILESC=C(C)C(C)(CC(C)CCCC)CC(CC)CC
InChIInChI=1S/C18H36/c1-8-11-12-16(6)13-18(7,15(4)5)14-17(9-2)10-3/h16-17H,4,8-14H2,1-3,5-7H3
InChIKeyGATYUVSIFIPVRG-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.61
Rot. Bonds10

About 3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane

3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane (PubChem CID 123271163) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane.

Molecular Properties

Compound Name3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane
PubChem CID123271163
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane
SMILESC=C(C)C(C)(CC(C)CCCC)CC(CC)CC
InChIInChI=1S/C18H36/c1-8-11-12-16(6)13-18(7,15(4)5)14-17(9-2)10-3/h16-17H,4,8-14H2,1-3,5-7H3
InChIKeyGATYUVSIFIPVRG-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methylheptane-1,1,1-triol
CID 141376698
hexane;2,2,4-trimethyloctane
CID 174278610
3,3,5-trimethylnonane
CID 53424862
3-ethyl-6-methyldecane
CID 57490928
4-ethyl-2,2-dimethyloctane;2,2,4-trimethylhexane
CID 159606053
7-ethyl-3-methylundecane
CID 57085432
4-ethylheptane;3-methylheptane
CID 143099611
ethane;3-methylheptane;propan-2-imine
CID 142132474
5-ethyl-2-methylnon-1-ene
CID 23205953
8-ethyl-2,2,4-trimethyldodecan-6-ol
CID 19788763
2,2,4-trimethylundecane
CID 57127021
9-ethyl-3-methyltridecane
CID 54105230

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane?
The IUPAC name of 3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane (CID 123271163) is 3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane.
What is the SMILES notation for 3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane?
The canonical SMILES for 3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane is C=C(C)C(C)(CC(C)CCCC)CC(CC)CC.
What is the InChIKey of 3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane?
The InChIKey is GATYUVSIFIPVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-8-11-12-16(6)13-18(7,15(4)5)14-17(9-2)10-3/h16-17H,4,8-14H2,1-3,5-7H3.
What are the key properties of 3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane?
3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane has a molecular weight of 252.49 g/mol, XLogP of 6.61, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,7-dimethyl-5-prop-1-en-2-ylundecane is sourced from PubChem (CID 123271163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).