(7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene

C22H36 — CID 140594180

IUPAC(7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene
SMILESC=CCC(C)C(CC=C(C)C)C(CC=C)/C(C)=C/C=C(C)C
InChIInChI=1S/C22H36/c1-9-11-19(7)22(16-14-18(5)6)21(12-10-2)20(8)15-13-17(3)4/h9-10,13-15,19,21-22H,1-2,11-12,16H2,3-8H3/b20-15+
InChIKeyLXAURZGJZWDSPH-HMMYKYKNSA-N
MW300.53 g/mol
LogP7.28
Rot. Bonds10

About (7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene

(7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene (PubChem CID 140594180) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is (7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene.

Molecular Properties

Compound Name(7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene
PubChem CID140594180
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name(7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene
SMILESC=CCC(C)C(CC=C(C)C)C(CC=C)/C(C)=C/C=C(C)C
InChIInChI=1S/C22H36/c1-9-11-19(7)22(16-14-18(5)6)21(12-10-2)20(8)15-13-17(3)4/h9-10,13-15,19,21-22H,1-2,11-12,16H2,3-8H3/b20-15+
InChIKeyLXAURZGJZWDSPH-HMMYKYKNSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.28
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

(4R,5Z)-5-methyl-4-propan-2-ylhepta-1,5-diene
CID 59911407
(5E)-5,8-dimethyl-4-[(Z)-prop-1-enyl]nona-1,5,7-triene;ethane;methane
CID 143234765
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395
(2S,3S)-2-(methoxymethyl)-3-methylhex-5-enoic acid
CID 146545497
N-[(Z)-4-methyl-3-prop-2-enylhex-4-en-2-yl]methanimine
CID 142059017
2-(1-hydroxyethyl)pent-4-enoic acid
CID 18940262
3,5,8-trimethylnona-1,7-diene
CID 123488814
ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene
CID 157032129
(3S)-3-methyl-2-(2-oxopropyl)hex-5-enal
CID 143622188
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
2-(1-hydroxyethyl)-5-methylhex-4-enoic acid
CID 175148500
(2S)-2-[(1S)-1-aminoethyl]pent-4-enoic acid
CID 10866451

Frequently Asked Questions

What is the IUPAC name of (7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene?
The IUPAC name of (7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene (CID 140594180) is (7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene.
What is the SMILES notation for (7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene?
The canonical SMILES for (7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene is C=CCC(C)C(CC=C(C)C)C(CC=C)/C(C)=C/C=C(C)C.
What is the InChIKey of (7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene?
The InChIKey is LXAURZGJZWDSPH-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H36/c1-9-11-19(7)22(16-14-18(5)6)21(12-10-2)20(8)15-13-17(3)4/h9-10,13-15,19,21-22H,1-2,11-12,16H2,3-8H3/b20-15+.
What are the key properties of (7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene?
(7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene has a molecular weight of 300.53 g/mol, XLogP of 7.28, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-4,7,10-trimethyl-5-(3-methylbut-2-enyl)-6-prop-2-enylundeca-1,7,9-triene is sourced from PubChem (CID 140594180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).