6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene

C16H24 — CID 21035914

IUPAC6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene
SMILESC#CC(C)(C)/C=C/C1C(C)=CCCC1(C)C
InChIInChI=1S/C16H24/c1-7-15(3,4)12-10-14-13(2)9-8-11-16(14,5)6/h1,9-10,12,14H,8,11H2,2-6H3/b12-10+
InChIKeyBOJHCSKNXLOHHR-ZRDIBKRKSA-N
MW216.37 g/mol
LogP4.58
Rot. Bonds2

About 6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene

6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene (PubChem CID 21035914) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene
PubChem CID21035914
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene
SMILESC#CC(C)(C)/C=C/C1C(C)=CCCC1(C)C
InChIInChI=1S/C16H24/c1-7-15(3,4)12-10-14-13(2)9-8-11-16(14,5)6/h1,9-10,12,14H,8,11H2,2-6H3/b12-10+
InChIKeyBOJHCSKNXLOHHR-ZRDIBKRKSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-4-Ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexene
CID 12310053
Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethyl)-, didehydro deriv.
CID 111381
4-t-Pentylcyclohexene
CID 551432
(3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene
CID 10607083
4-Ethynyl-1,3-dimethylcyclohex-1-ene
CID 123812267
(1S,5S)-8-ethynyl-4-methylidene-1-propan-2-ylspiro[4.5]dec-8-ene
CID 118730784
(3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexene
CID 12310054
(3R,4R)-3-hepta-1,3,5-triynyl-4-[(E)-non-1-en-3,5,7-triynyl]cyclohexene
CID 162897285
(3S)-3-[(2R,3R)-3,7-dimethyloct-6-en-2-yl]-3-methylcyclohexene
CID 10585803
Cyclohexene, 6-(2-butenyl)-1,5,5-trimethyl-, (E)-
CID 5371284
4-Tert-butyl-1-hex-1-ynylcyclohexene
CID 11367976
6-[(E)-but-1-en-3-ynyl]-1,5,5-trimethylcyclohexene
CID 14730884

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene?
The IUPAC name of 6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene (CID 21035914) is 6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene.
What is the SMILES notation for 6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene?
The canonical SMILES for 6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene is C#CC(C)(C)/C=C/C1C(C)=CCCC1(C)C.
What is the InChIKey of 6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene?
The InChIKey is BOJHCSKNXLOHHR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H24/c1-7-15(3,4)12-10-14-13(2)9-8-11-16(14,5)6/h1,9-10,12,14H,8,11H2,2-6H3/b12-10+.
What are the key properties of 6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene?
6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene has a molecular weight of 216.37 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3,3-dimethylpent-1-en-4-ynyl]-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 21035914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).