ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene

C25H46 — CID 143912708

IUPACethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene
SMILESC=C.C=C/C=C(CCC)/C(C(=C)C)=C(C)/C=C/C.C=CC.CC.CC
InChIInChI=1S/C16H24.C3H6.2C2H6.C2H4/c1-7-10-14(6)16(13(4)5)15(11-8-2)12-9-3;1-3-2;3*1-2/h7-8,10-11H,2,4,9,12H2,1,3,5-6H3;3H,1H2,2H3;2*1-2H3;1-2H2/b10-7+,15-11+,16-14+;;;;
InChIKeyQPNFNIJVPZPLLB-NRDDWNOXSA-N
MW346.64 g/mol
LogP9.41
Rot. Bonds6

About ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene

ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene (PubChem CID 143912708) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene.

Molecular Properties

Compound Nameethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene
PubChem CID143912708
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Nameethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene
SMILESC=C.C=C/C=C(CCC)/C(C(=C)C)=C(C)/C=C/C.C=CC.CC.CC
InChIInChI=1S/C16H24.C3H6.2C2H6.C2H4/c1-7-10-14(6)16(13(4)5)15(11-8-2)12-9-3;1-3-2;3*1-2/h7-8,10-11H,2,4,9,12H2,1,3,5-6H3;3H,1H2,2H3;2*1-2H3;1-2H2/b10-7+,15-11+,16-14+;;;;
InChIKeyQPNFNIJVPZPLLB-NRDDWNOXSA-N
XLogP9.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
ethane;(2E,3Z)-2-ethylidene-3-propylhexa-3,5-dienal
CID 143778379
(Z,5Z)-5-ethylidene-4-methylideneoct-2-ene
CID 166467413
ethane;ethene;(3Z,5Z,7Z)-5-ethenyl-4,6-dimethylnona-1,3,5,7-tetraene
CID 143865216
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144981154
(2Z,4Z,6Z)-4-methyl-5-propylocta-2,4,6-triene
CID 144517044
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
(3E,5E,7E)-4,5,6-trimethylnona-1,3,5,7-tetraene
CID 21336128
ethane;ethene;(E)-4-methylideneundec-2-ene
CID 143978439

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene?
The IUPAC name of ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene (CID 143912708) is ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene.
What is the SMILES notation for ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene?
The canonical SMILES for ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene is C=C.C=C/C=C(CCC)/C(C(=C)C)=C(C)/C=C/C.C=CC.CC.CC.
What is the InChIKey of ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene?
The InChIKey is QPNFNIJVPZPLLB-NRDDWNOXSA-N. The full InChI is InChI=1S/C16H24.C3H6.2C2H6.C2H4/c1-7-10-14(6)16(13(4)5)15(11-8-2)12-9-3;1-3-2;3*1-2/h7-8,10-11H,2,4,9,12H2,1,3,5-6H3;3H,1H2,2H3;2*1-2H3;1-2H2/b10-7+,15-11+,16-14+;;;;.
What are the key properties of ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene?
ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene has a molecular weight of 346.64 g/mol, XLogP of 9.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(3E,5E,7E)-6-methyl-5-prop-1-en-2-yl-4-propylnona-1,3,5,7-tetraene;prop-1-ene is sourced from PubChem (CID 143912708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).