(1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene

C16H28 — CID 145286517

IUPAC(1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene
SMILESC=CCC1CC/C(C)=C/CCC(C)C(C)C1
InChIInChI=1S/C16H28/c1-5-7-16-11-10-13(2)8-6-9-14(3)15(4)12-16/h5,8,14-16H,1,6-7,9-12H2,2-4H3/b13-8+
InChIKeyXIWNPHUMMHCLLM-MDWZMJQESA-N
MW220.40 g/mol
LogP5.36
Rot. Bonds2

About (1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene

(1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene (PubChem CID 145286517) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is (1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene.

Molecular Properties

Compound Name(1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene
PubChem CID145286517
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name(1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene
SMILESC=CCC1CC/C(C)=C/CCC(C)C(C)C1
InChIInChI=1S/C16H28/c1-5-7-16-11-10-13(2)8-6-9-14(3)15(4)12-16/h5,8,14-16H,1,6-7,9-12H2,2-4H3/b13-8+
InChIKeyXIWNPHUMMHCLLM-MDWZMJQESA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.36
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

4-methyl-1-[(4-methylcyclohept-4-en-1-yl)methyl]piperidine
CID 175622919
5-methylcyclooct-5-ene-1,2-diol
CID 68741308
(1Z,5E)-9-methoxy-2,5,10-trimethylcyclododeca-1,5-diene
CID 175990247
1-methyl-4-[(4-methylcyclohex-3-en-1-yl)methyl]cyclohexene
CID 23031272
4-but-3-enyl-1,2-dimethylcyclohexane
CID 59938338
(1Z)-1-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclooctene
CID 23092808
1-ethenyl-9-methyl-6-methylidene-3-prop-2-enylcyclododecane
CID 123965976
2-[(4E)-9-ethyl-4,8-dimethylcyclodec-4-en-1-yl]acetaldehyde;methoxymethane;N-methyl-2-phenylmethoxyprop-2-en-1-amine
CID 145286524
5-ethyl-1,3-dimethylcycloheptene
CID 143264221
(5S)-1-nitro-5-prop-2-enylcyclohexene
CID 175808843
2-(hydroxymethyl)-4-prop-2-enylcyclohexan-1-one
CID 70414469
(1R,8R,9R)-4,8,11,11-tetramethylbicyclo[7.2.0]undec-4-ene
CID 91099297

Frequently Asked Questions

What is the IUPAC name of (1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene?
The IUPAC name of (1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene (CID 145286517) is (1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene.
What is the SMILES notation for (1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene?
The canonical SMILES for (1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene is C=CCC1CC/C(C)=C/CCC(C)C(C)C1.
What is the InChIKey of (1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene?
The InChIKey is XIWNPHUMMHCLLM-MDWZMJQESA-N. The full InChI is InChI=1S/C16H28/c1-5-7-16-11-10-13(2)8-6-9-14(3)15(4)12-16/h5,8,14-16H,1,6-7,9-12H2,2-4H3/b13-8+.
What are the key properties of (1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene?
(1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene has a molecular weight of 220.40 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1,5,6-trimethyl-8-prop-2-enylcyclodecene is sourced from PubChem (CID 145286517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).