6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane

C18H32 — CID 144634443

IUPAC6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane
SMILESC=C(C)C1=C(C(=C)C)CC2(CCC2)C1.CC.CC
InChIInChI=1S/C14H20.2C2H6/c1-10(2)12-8-14(6-5-7-14)9-13(12)11(3)4;2*1-2/h1,3,5-9H2,2,4H3;2*1-2H3
InChIKeyBXERJAQUQKJRMK-UHFFFAOYSA-N
MW248.45 g/mol
LogP6.45
Rot. Bonds2

About 6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane

6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane (PubChem CID 144634443) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane.

Molecular Properties

Compound Name6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane
PubChem CID144634443
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane
SMILESC=C(C)C1=C(C(=C)C)CC2(CCC2)C1.CC.CC
InChIInChI=1S/C14H20.2C2H6/c1-10(2)12-8-14(6-5-7-14)9-13(12)11(3)4;2*1-2/h1,3,5-9H2,2,4H3;2*1-2H3
InChIKeyBXERJAQUQKJRMK-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane?
The IUPAC name of 6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane (CID 144634443) is 6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane.
What is the SMILES notation for 6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane?
The canonical SMILES for 6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane is C=C(C)C1=C(C(=C)C)CC2(CCC2)C1.CC.CC.
What is the InChIKey of 6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane?
The InChIKey is BXERJAQUQKJRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.2C2H6/c1-10(2)12-8-14(6-5-7-14)9-13(12)11(3)4;2*1-2/h1,3,5-9H2,2,4H3;2*1-2H3.
What are the key properties of 6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane?
6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane has a molecular weight of 248.45 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(prop-1-en-2-yl)spiro[3.4]oct-6-ene;ethane is sourced from PubChem (CID 144634443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).