anthracene;(E)-hex-3-ene;propane

C26H38 — CID 144562643

IUPACanthracene;(E)-hex-3-ene;propane
SMILESCC/C=C/CC.CCC.CCC.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C6H12.2C3H8/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-5-6-4-2;2*1-3-2/h1-10H;5-6H,3-4H2,1-2H3;2*3H2,1-2H3/b;6-5+;;
InChIKeyYIECTZYIFMSKFO-BWVIBOQJSA-N
MW350.59 g/mol
LogP9.19
Rot. Bonds2

About anthracene;(E)-hex-3-ene;propane

anthracene;(E)-hex-3-ene;propane (PubChem CID 144562643) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is anthracene;(E)-hex-3-ene;propane.

Molecular Properties

Compound Nameanthracene;(E)-hex-3-ene;propane
PubChem CID144562643
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Nameanthracene;(E)-hex-3-ene;propane
SMILESCC/C=C/CC.CCC.CCC.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C6H12.2C3H8/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-5-6-4-2;2*1-3-2/h1-10H;5-6H,3-4H2,1-2H3;2*3H2,1-2H3/b;6-5+;;
InChIKeyYIECTZYIFMSKFO-BWVIBOQJSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene;(E)-hex-3-ene;propane?
The IUPAC name of anthracene;(E)-hex-3-ene;propane (CID 144562643) is anthracene;(E)-hex-3-ene;propane.
What is the SMILES notation for anthracene;(E)-hex-3-ene;propane?
The canonical SMILES for anthracene;(E)-hex-3-ene;propane is CC/C=C/CC.CCC.CCC.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;(E)-hex-3-ene;propane?
The InChIKey is YIECTZYIFMSKFO-BWVIBOQJSA-N. The full InChI is InChI=1S/C14H10.C6H12.2C3H8/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-5-6-4-2;2*1-3-2/h1-10H;5-6H,3-4H2,1-2H3;2*3H2,1-2H3/b;6-5+;;.
What are the key properties of anthracene;(E)-hex-3-ene;propane?
anthracene;(E)-hex-3-ene;propane has a molecular weight of 350.59 g/mol, XLogP of 9.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;(E)-hex-3-ene;propane is sourced from PubChem (CID 144562643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).