3-methylhex-5-en-1-ynylcyclohexane

C13H20 — CID 154711258

IUPAC3-methylhex-5-en-1-ynylcyclohexane
SMILESC=CCC(C)C#CC1CCCCC1
InChIInChI=1S/C13H20/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3,12-13H,1,4-9H2,2H3
InChIKeyGRJOORXMNOSIPC-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.78
Rot. Bonds2

About 3-methylhex-5-en-1-ynylcyclohexane

3-methylhex-5-en-1-ynylcyclohexane (PubChem CID 154711258) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 3-methylhex-5-en-1-ynylcyclohexane.

Molecular Properties

Compound Name3-methylhex-5-en-1-ynylcyclohexane
PubChem CID154711258
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name3-methylhex-5-en-1-ynylcyclohexane
SMILESC=CCC(C)C#CC1CCCCC1
InChIInChI=1S/C13H20/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3,12-13H,1,4-9H2,2H3
InChIKeyGRJOORXMNOSIPC-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.78
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

Allylcyclohexane
CID 75027
5-Cyclohexyl-1-pentene
CID 523968
But-3-enylcyclohexane
CID 523967
1-Ethenyl-4-methylcyclohexane
CID 5012311
Pent-4-en-1-ynylcyclohexane
CID 45079372
Ethylene.vinylcyclohexane
CID 86663845
Vinylcyclohexane Propylene
CID 86745998
1-Ethenyl-3-methylcyclohexane
CID 5012310
5-Ethynyldeca-1,9-diene
CID 11708112
[(E)-dec-1-en-3-ynyl]cyclohexane
CID 13346331
ZINC;ethane;ethenylcyclohexane
CID 14961439
ZINC;carbanide;ethenylcyclohexane
CID 14961440

Frequently Asked Questions

What is the IUPAC name of 3-methylhex-5-en-1-ynylcyclohexane?
The IUPAC name of 3-methylhex-5-en-1-ynylcyclohexane (CID 154711258) is 3-methylhex-5-en-1-ynylcyclohexane.
What is the SMILES notation for 3-methylhex-5-en-1-ynylcyclohexane?
The canonical SMILES for 3-methylhex-5-en-1-ynylcyclohexane is C=CCC(C)C#CC1CCCCC1.
What is the InChIKey of 3-methylhex-5-en-1-ynylcyclohexane?
The InChIKey is GRJOORXMNOSIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3,12-13H,1,4-9H2,2H3.
What are the key properties of 3-methylhex-5-en-1-ynylcyclohexane?
3-methylhex-5-en-1-ynylcyclohexane has a molecular weight of 176.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhex-5-en-1-ynylcyclohexane is sourced from PubChem (CID 154711258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).