4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde

C15H20O2 — CID 91035633

IUPAC4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCCC(=CC=C(C)C)OC1=CC=C(C=O)CC1
InChIInChI=1S/C15H20O2/c1-4-14(8-5-12(2)3)17-15-9-6-13(11-16)7-10-15/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyDZIKEAQNXYTCOB-UHFFFAOYSA-N
MW232.32 g/mol
LogP4.07
Rot. Bonds5

About 4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde

4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 91035633) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID91035633
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCCC(=CC=C(C)C)OC1=CC=C(C=O)CC1
InChIInChI=1S/C15H20O2/c1-4-14(8-5-12(2)3)17-15-9-6-13(11-16)7-10-15/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyDZIKEAQNXYTCOB-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Fluoro-3-methoxy-4-[2-(2-methoxyethoxy)ethoxy]cyclohexa-1,3-diene-1-carbaldehyde
CID 89260782
4-(Difluoromethoxy)cyclohexa-1,3-diene-1-carbaldehyde
CID 118065989
4-(Trifluoromethoxy)cyclohexa-1,3-diene-1-carbaldehyde
CID 129089936
3-Fluoro-4-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene-1-carbaldehyde
CID 162570031
1-(4-Methoxycyclohexa-1,3-dien-1-yl)ethanone
CID 14220097
4-Ethoxy-2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
CID 21519470
5-Ethoxycyclohexa-1,5-diene-1-carbaldehyde
CID 22670821
5-Methoxycyclohexa-1,5-diene-1-carbaldehyde
CID 23184412
4-Methoxycyclohexa-1,3-diene-1-carbaldehyde
CID 54263815
4-Methoxy-6-oxocyclohexa-1,3-diene-1-carbaldehyde
CID 88431341
4-Prop-2-enoxycyclohexa-1,3-diene-1-carbaldehyde
CID 89093143
3-Butyl-4-propan-2-yloxycyclohexa-1,3-diene-1-carbaldehyde
CID 89359092

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde (CID 91035633) is 4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde is CCC(=CC=C(C)C)OC1=CC=C(C=O)CC1.
What is the InChIKey of 4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is DZIKEAQNXYTCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-14(8-5-12(2)3)17-15-9-6-13(11-16)7-10-15/h5-6,8-9,11H,4,7,10H2,1-3H3.
What are the key properties of 4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde?
4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 232.32 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylhepta-3,5-dien-3-yloxy)cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 91035633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).