3,6-bis(prop-1-en-2-yl)-9H-fluorene

C19H18 — CID 91033866

IUPAC3,6-bis(prop-1-en-2-yl)-9H-fluorene
SMILESC=C(C)c1ccc2c(c1)-c1cc(C(=C)C)ccc1C2
InChIInChI=1S/C19H18/c1-12(2)14-5-7-16-9-17-8-6-15(13(3)4)11-19(17)18(16)10-14/h5-8,10-11H,1,3,9H2,2,4H3
InChIKeyVRCYYHILOMCMQN-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.32
Rot. Bonds2

About 3,6-bis(prop-1-en-2-yl)-9H-fluorene

3,6-bis(prop-1-en-2-yl)-9H-fluorene (PubChem CID 91033866) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3,6-bis(prop-1-en-2-yl)-9H-fluorene.

Molecular Properties

Compound Name3,6-bis(prop-1-en-2-yl)-9H-fluorene
PubChem CID91033866
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name3,6-bis(prop-1-en-2-yl)-9H-fluorene
SMILESC=C(C)c1ccc2c(c1)-c1cc(C(=C)C)ccc1C2
InChIInChI=1S/C19H18/c1-12(2)14-5-7-16-9-17-8-6-15(13(3)4)11-19(17)18(16)10-14/h5-8,10-11H,1,3,9H2,2,4H3
InChIKeyVRCYYHILOMCMQN-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(prop-1-en-2-yl)-9H-fluorene?
The IUPAC name of 3,6-bis(prop-1-en-2-yl)-9H-fluorene (CID 91033866) is 3,6-bis(prop-1-en-2-yl)-9H-fluorene.
What is the SMILES notation for 3,6-bis(prop-1-en-2-yl)-9H-fluorene?
The canonical SMILES for 3,6-bis(prop-1-en-2-yl)-9H-fluorene is C=C(C)c1ccc2c(c1)-c1cc(C(=C)C)ccc1C2.
What is the InChIKey of 3,6-bis(prop-1-en-2-yl)-9H-fluorene?
The InChIKey is VRCYYHILOMCMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-12(2)14-5-7-16-9-17-8-6-15(13(3)4)11-19(17)18(16)10-14/h5-8,10-11H,1,3,9H2,2,4H3.
What are the key properties of 3,6-bis(prop-1-en-2-yl)-9H-fluorene?
3,6-bis(prop-1-en-2-yl)-9H-fluorene has a molecular weight of 246.35 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(prop-1-en-2-yl)-9H-fluorene is sourced from PubChem (CID 91033866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).