8-ethynyl-7-methylspiro[2.5]oct-7-ene

C11H14 — CID 13472461

IUPAC8-ethynyl-7-methylspiro[2.5]oct-7-ene
SMILESC#CC1=C(C)CCCC12CC2
InChIInChI=1S/C11H14/c1-3-10-9(2)5-4-6-11(10)7-8-11/h1H,4-8H2,2H3
InChIKeyVYLNUOXNMPWATM-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.90
Rot. Bonds

About 8-ethynyl-7-methylspiro[2.5]oct-7-ene

8-ethynyl-7-methylspiro[2.5]oct-7-ene (PubChem CID 13472461) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 8-ethynyl-7-methylspiro[2.5]oct-7-ene.

Molecular Properties

Compound Name8-ethynyl-7-methylspiro[2.5]oct-7-ene
PubChem CID13472461
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name8-ethynyl-7-methylspiro[2.5]oct-7-ene
SMILESC#CC1=C(C)CCCC12CC2
InChIInChI=1S/C11H14/c1-3-10-9(2)5-4-6-11(10)7-8-11/h1H,4-8H2,2H3
InChIKeyVYLNUOXNMPWATM-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-But-3-ynyl-1,3,3-trimethylcyclohexene
CID 10997585
2-Ethynyl-1,3,3-trimethylcyclohex-1-ene
CID 13296912
1,3,3-trimethyl-2-[(E)-3-methylpent-2-en-4-ynyl]cyclohexene
CID 71502323
10-Ethynyl-9-methylspiro[4.5]dec-9-ene
CID 91169790
Chlorozinc(1+);2-ethynyl-1,3,3-trimethylcyclohexene
CID 135085798
Uqvqmgvlsaceff-uhfffaoysa-
CID 11805223
1-[3-Methyl-but-3-en-1-yn-1-yl]-2,6,6-trimethyl-cyclohex-1-ene
CID 12546029
2-Ethynyl-1,3-dimethylcyclohexene
CID 13539610
1-Ethynyl-3,3,6,6-tetramethylcyclohexene
CID 19371003
1-Ethynyl-2,3,3,6,6-pentamethylcyclohexene
CID 19371009
2-(2-Iodoethynyl)-1,3,3-trimethylcyclohexene
CID 69755889
(Z)-1,3,3-trimethyl-2-(3-methylpent-2-en-4-ynyl)cyclohex-1-ene
CID 71761674

Frequently Asked Questions

What is the IUPAC name of 8-ethynyl-7-methylspiro[2.5]oct-7-ene?
The IUPAC name of 8-ethynyl-7-methylspiro[2.5]oct-7-ene (CID 13472461) is 8-ethynyl-7-methylspiro[2.5]oct-7-ene.
What is the SMILES notation for 8-ethynyl-7-methylspiro[2.5]oct-7-ene?
The canonical SMILES for 8-ethynyl-7-methylspiro[2.5]oct-7-ene is C#CC1=C(C)CCCC12CC2.
What is the InChIKey of 8-ethynyl-7-methylspiro[2.5]oct-7-ene?
The InChIKey is VYLNUOXNMPWATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-3-10-9(2)5-4-6-11(10)7-8-11/h1H,4-8H2,2H3.
What are the key properties of 8-ethynyl-7-methylspiro[2.5]oct-7-ene?
8-ethynyl-7-methylspiro[2.5]oct-7-ene has a molecular weight of 146.23 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethynyl-7-methylspiro[2.5]oct-7-ene is sourced from PubChem (CID 13472461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).