6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene

C14H22 — CID 166139689

IUPAC6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene
SMILESC/C(=C/C1=CCC2(CC1)CC2)C(C)C
InChIInChI=1S/C14H22/c1-11(2)12(3)10-13-4-6-14(7-5-13)8-9-14/h4,10-11H,5-9H2,1-3H3/b12-10-
InChIKeyQWVRGVJLHLCHPI-BENRWUELSA-N
MW190.33 g/mol
LogP4.48
Rot. Bonds2

About 6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene

6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene (PubChem CID 166139689) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene.

Molecular Properties

Compound Name6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene
PubChem CID166139689
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene
SMILESC/C(=C/C1=CCC2(CC1)CC2)C(C)C
InChIInChI=1S/C14H22/c1-11(2)12(3)10-13-4-6-14(7-5-13)8-9-14/h4,10-11H,5-9H2,1-3H3/b12-10-
InChIKeyQWVRGVJLHLCHPI-BENRWUELSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene?
The IUPAC name of 6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene (CID 166139689) is 6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene.
What is the SMILES notation for 6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene?
The canonical SMILES for 6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene is C/C(=C/C1=CCC2(CC1)CC2)C(C)C.
What is the InChIKey of 6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene?
The InChIKey is QWVRGVJLHLCHPI-BENRWUELSA-N. The full InChI is InChI=1S/C14H22/c1-11(2)12(3)10-13-4-6-14(7-5-13)8-9-14/h4,10-11H,5-9H2,1-3H3/b12-10-.
What are the key properties of 6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene?
6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene has a molecular weight of 190.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2,3-dimethylbut-1-enyl]spiro[2.5]oct-6-ene is sourced from PubChem (CID 166139689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).