ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene

C18H26 — CID 143566637

IUPACethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
SMILESCC.CC=Cc1ccccccccc1CCC
InChIInChI=1S/C16H20.C2H6/c1-3-11-15-13-9-7-5-6-8-10-14-16(15)12-4-2;1-2/h3,5-11,13-14H,4,12H2,1-2H3;1-2H3/b6-5-,7-5-,8-6-,9-7+,10-8+,11-3?,13-9+,14-10+,15-13-,16-14-,16-15-;
InChIKeyOWFWSYVYJXVULD-XDANHECZSA-N
MW242.41 g/mol
LogP5.82
Rot. Bonds3

About ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene

ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene (PubChem CID 143566637) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Nameethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
PubChem CID143566637
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Nameethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
SMILESCC.CC=Cc1ccccccccc1CCC
InChIInChI=1S/C16H20.C2H6/c1-3-11-15-13-9-7-5-6-8-10-14-16(15)12-4-2;1-2/h3,5-11,13-14H,4,12H2,1-2H3;1-2H3/b6-5-,7-5-,8-6-,9-7+,10-8+,11-3?,13-9+,14-10+,15-13-,16-14-,16-15-;
InChIKeyOWFWSYVYJXVULD-XDANHECZSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(1E)-buta-1,3-dienyl]-2-propylbenzene
CID 173472547
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CID 143541602
1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne
CID 142194748
1-but-2-enyl-2-propylbenzene
CID 139617865
1-ethyl-2-(2-prop-1-enylphenyl)benzene
CID 91183008
3-(2-propylphenyl)-1-(4-tetradecylphenyl)prop-2-ene-1-thione
CID 88620581
1-nonyl-2-(2-phenylethenyl)benzene
CID 91593587
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443
1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
N-ethyl-2-[(Z)-prop-1-enyl]aniline
CID 145027913
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668

Frequently Asked Questions

What is the IUPAC name of ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene?
The IUPAC name of ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene (CID 143566637) is ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene.
What is the SMILES notation for ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene?
The canonical SMILES for ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene is CC.CC=Cc1ccccccccc1CCC.
What is the InChIKey of ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene?
The InChIKey is OWFWSYVYJXVULD-XDANHECZSA-N. The full InChI is InChI=1S/C16H20.C2H6/c1-3-11-15-13-9-7-5-6-8-10-14-16(15)12-4-2;1-2/h3,5-11,13-14H,4,12H2,1-2H3;1-2H3/b6-5-,7-5-,8-6-,9-7+,10-8+,11-3?,13-9+,14-10+,15-13-,16-14-,16-15-;.
What are the key properties of ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene?
ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene has a molecular weight of 242.41 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 143566637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).