spiro[4.14]nonadeca-1,3-diene

C19H32 — CID 59742110

IUPACspiro[4.14]nonadeca-1,3-diene
SMILESC1=CC2(C=C1)CCCCCCCCCCCCCC2
InChIInChI=1S/C19H32/c1-2-4-6-8-10-12-16-19(17-13-14-18-19)15-11-9-7-5-3-1/h13-14,17-18H,1-12,15-16H2
InChIKeyYUMZMXLOPMOSJW-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.57
Rot. Bonds

About spiro[4.14]nonadeca-1,3-diene

spiro[4.14]nonadeca-1,3-diene (PubChem CID 59742110) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is spiro[4.14]nonadeca-1,3-diene.

Molecular Properties

Compound Namespiro[4.14]nonadeca-1,3-diene
PubChem CID59742110
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Namespiro[4.14]nonadeca-1,3-diene
SMILESC1=CC2(C=C1)CCCCCCCCCCCCCC2
InChIInChI=1S/C19H32/c1-2-4-6-8-10-12-16-19(17-13-14-18-19)15-11-9-7-5-3-1/h13-14,17-18H,1-12,15-16H2
InChIKeyYUMZMXLOPMOSJW-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of spiro[4.14]nonadeca-1,3-diene?
The IUPAC name of spiro[4.14]nonadeca-1,3-diene (CID 59742110) is spiro[4.14]nonadeca-1,3-diene.
What is the SMILES notation for spiro[4.14]nonadeca-1,3-diene?
The canonical SMILES for spiro[4.14]nonadeca-1,3-diene is C1=CC2(C=C1)CCCCCCCCCCCCCC2.
What is the InChIKey of spiro[4.14]nonadeca-1,3-diene?
The InChIKey is YUMZMXLOPMOSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-2-4-6-8-10-12-16-19(17-13-14-18-19)15-11-9-7-5-3-1/h13-14,17-18H,1-12,15-16H2.
What are the key properties of spiro[4.14]nonadeca-1,3-diene?
spiro[4.14]nonadeca-1,3-diene has a molecular weight of 260.46 g/mol, XLogP of 6.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.14]nonadeca-1,3-diene is sourced from PubChem (CID 59742110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).