(3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene

C15H22O — CID 142173895

IUPAC(3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene
SMILESC=C/C(C)=C(\C=C/C)OC(=C/C)/C(C)=C\C
InChIInChI=1S/C15H22O/c1-7-11-15(13(6)9-3)16-14(10-4)12(5)8-2/h7-11H,3H2,1-2,4-6H3/b11-7-,12-8-,14-10+,15-13+
InChIKeyAAUZSRHMMPTBGX-QSDWUHHOSA-N
MW218.34 g/mol
LogP4.91
Rot. Bonds5

About (3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene

(3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene (PubChem CID 142173895) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene
PubChem CID142173895
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene
SMILESC=C/C(C)=C(\C=C/C)OC(=C/C)/C(C)=C\C
InChIInChI=1S/C15H22O/c1-7-11-15(13(6)9-3)16-14(10-4)12(5)8-2/h7-11H,3H2,1-2,4-6H3/b11-7-,12-8-,14-10+,15-13+
InChIKeyAAUZSRHMMPTBGX-QSDWUHHOSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
CID 89289034
(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene
CID 143832543
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
(3E,5Z)-3-methyl-4-(3-methylbuta-1,3-dien-2-yl)hepta-1,3,5-triene
CID 143168001
3,4-dimethylpenta-1,3-diene
CID 6713443
(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine
CID 142987567
ethane;3-ethenyl-4-methylhexa-1,3,5-triene
CID 162531355
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene (CID 142173895) is (3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene is C=C/C(C)=C(\C=C/C)OC(=C/C)/C(C)=C\C.
What is the InChIKey of (3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene?
The InChIKey is AAUZSRHMMPTBGX-QSDWUHHOSA-N. The full InChI is InChI=1S/C15H22O/c1-7-11-15(13(6)9-3)16-14(10-4)12(5)8-2/h7-11H,3H2,1-2,4-6H3/b11-7-,12-8-,14-10+,15-13+.
What are the key properties of (3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene?
(3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene has a molecular weight of 218.34 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-methyl-4-[(2E,4Z)-4-methylhexa-2,4-dien-3-yl]oxyhepta-1,3,5-triene is sourced from PubChem (CID 142173895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).