(5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane

C18H36 — CID 143234765

IUPAC(5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane
SMILESC.C.C=CCC(/C=C\C)/C(C)=C/C=C(C)C.CC
InChIInChI=1S/C14H22.C2H6.2CH4/c1-6-8-14(9-7-2)13(5)11-10-12(3)4;1-2;;/h6-7,9-11,14H,1,8H2,2-5H3;1-2H3;2*1H4/b9-7-,13-11+;;;
InChIKeyOYIHCKBSRFPXKD-ABBJJJLBSA-N
MW252.49 g/mol
LogP6.97
Rot. Bonds5

About (5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane

(5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane (PubChem CID 143234765) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is (5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane.

Molecular Properties

Compound Name(5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane
PubChem CID143234765
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name(5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane
SMILESC.C.C=CCC(/C=C\C)/C(C)=C/C=C(C)C.CC
InChIInChI=1S/C14H22.C2H6.2CH4/c1-6-8-14(9-7-2)13(5)11-10-12(3)4;1-2;;/h6-7,9-11,14H,1,8H2,2-5H3;1-2H3;2*1H4/b9-7-,13-11+;;;
InChIKeyOYIHCKBSRFPXKD-ABBJJJLBSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.97
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

(1Z,4Z)-2-amino-3-prop-2-enylhexa-1,4-diene-1-thiol
CID 88578836
3-ethenylhex-5-en-2-one
CID 529432
(7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene
CID 140594180
hepta-1,5-dien-4-yl 2-methylprop-2-enoate
CID 54100239
(5Z)-5-methylhepta-1,5-dien-4-amine
CID 143795621
(5Z)-4-propan-2-ylhepta-1,5-diene
CID 59039580
1-[6-methyl-5-(3-methyl-4-prop-2-enylhepta-2,5-dien-2-yl)cyclohex-3-en-1-yl]ethanone
CID 123670154
(5E)-3-ethenyl-4-prop-2-enylhepta-1,5-dien-3-ol
CID 121008731
(4R,5Z)-5-methyl-4-propan-2-ylhepta-1,5-diene
CID 59911407
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
[(Z,2S)-2-prop-2-enylpent-3-enyl] carbonochloridate
CID 129083977

Frequently Asked Questions

What is the IUPAC name of (5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane?
The IUPAC name of (5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane (CID 143234765) is (5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane.
What is the SMILES notation for (5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane?
The canonical SMILES for (5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane is C.C.C=CCC(/C=C\C)/C(C)=C/C=C(C)C.CC.
What is the InChIKey of (5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane?
The InChIKey is OYIHCKBSRFPXKD-ABBJJJLBSA-N. The full InChI is InChI=1S/C14H22.C2H6.2CH4/c1-6-8-14(9-7-2)13(5)11-10-12(3)4;1-2;;/h6-7,9-11,14H,1,8H2,2-5H3;1-2H3;2*1H4/b9-7-,13-11+;;;.
What are the key properties of (5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane?
(5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane has a molecular weight of 252.49 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane is sourced from PubChem (CID 143234765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).