prop-1-ene;3,6,7-trimethylundecane

C17H36 — CID 145154511

IUPACprop-1-ene;3,6,7-trimethylundecane
SMILESC=CC.CCCCC(C)C(C)CCC(C)CC
InChIInChI=1S/C14H30.C3H6/c1-6-8-9-13(4)14(5)11-10-12(3)7-2;1-3-2/h12-14H,6-11H2,1-5H3;3H,1H2,2H3
InChIKeyVLHCHHICLIRGPM-UHFFFAOYSA-N
MW240.47 g/mol
LogP6.47
Rot. Bonds8

About prop-1-ene;3,6,7-trimethylundecane

prop-1-ene;3,6,7-trimethylundecane (PubChem CID 145154511) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is prop-1-ene;3,6,7-trimethylundecane.

Molecular Properties

Compound Nameprop-1-ene;3,6,7-trimethylundecane
PubChem CID145154511
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Nameprop-1-ene;3,6,7-trimethylundecane
SMILESC=CC.CCCCC(C)C(C)CCC(C)CC
InChIInChI=1S/C14H30.C3H6/c1-6-8-9-13(4)14(5)11-10-12(3)7-2;1-3-2/h12-14H,6-11H2,1-5H3;3H,1H2,2H3
InChIKeyVLHCHHICLIRGPM-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.47
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

(Z)-but-2-ene;3-methylheptane
CID 155572467
(3R,6S)-3,6-dimethyldecane
CID 170848353
3,6,7,8-tetramethyltridecane
CID 123428805
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
6-butyl-3,7-dimethylundecane
CID 123359248
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
3,5,6-trimethyldecane
CID 57490917
3-methylheptane;nickel
CID 158967838
3,7-dimethyl-6-(2-methylpropyl)undecane
CID 123589473
3-methylheptane;octane
CID 144782281
calcium;hydride;3-methylheptane
CID 174879723
(5S,6R)-2,5,6-trimethyldecane
CID 154723790

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;3,6,7-trimethylundecane?
The IUPAC name of prop-1-ene;3,6,7-trimethylundecane (CID 145154511) is prop-1-ene;3,6,7-trimethylundecane.
What is the SMILES notation for prop-1-ene;3,6,7-trimethylundecane?
The canonical SMILES for prop-1-ene;3,6,7-trimethylundecane is C=CC.CCCCC(C)C(C)CCC(C)CC.
What is the InChIKey of prop-1-ene;3,6,7-trimethylundecane?
The InChIKey is VLHCHHICLIRGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30.C3H6/c1-6-8-9-13(4)14(5)11-10-12(3)7-2;1-3-2/h12-14H,6-11H2,1-5H3;3H,1H2,2H3.
What are the key properties of prop-1-ene;3,6,7-trimethylundecane?
prop-1-ene;3,6,7-trimethylundecane has a molecular weight of 240.47 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;3,6,7-trimethylundecane is sourced from PubChem (CID 145154511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).