4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene

C15H22 — CID 145324638

IUPAC4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene
SMILESC=C(C=C(C)C)C1=C(C)C=C(CC)CC1
InChIInChI=1S/C15H22/c1-6-14-7-8-15(13(5)10-14)12(4)9-11(2)3/h9-10H,4,6-8H2,1-3,5H3
InChIKeyROBSHJPNLOPKFT-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.96
Rot. Bonds3

About 4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene

4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene (PubChem CID 145324638) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene
PubChem CID145324638
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene
SMILESC=C(C=C(C)C)C1=C(C)C=C(CC)CC1
InChIInChI=1S/C15H22/c1-6-14-7-8-15(13(5)10-14)12(4)9-11(2)3/h9-10H,4,6-8H2,1-3,5H3
InChIKeyROBSHJPNLOPKFT-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(4-prop-1-en-2-ylhepta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 123378423
4-[(3Z)-5-amino-4-methyl-2-methylidenehexa-3,5-dienyl]-2-methylcyclohexa-1,3-dien-1-amine
CID 144837546
1-ethyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
CID 143168816
1,2,3,4,5-pentamethyl-6-(4-methylpenta-1,3-dien-2-yl)benzene
CID 162268770
1,3-dimethyl-2-(4-methylpenta-1,3-dien-2-yl)benzene
CID 174000600
4-ethyl-2-hydroxycyclohex-3-en-1-one
CID 173450667
1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
(Z)-but-2-ene;1,4-diethylcyclohexa-1,3-diene
CID 143221988
1-(3-ethyl-4-methylpenta-1,4-dien-2-yl)-2-methylcyclobutene
CID 123297177
3-ethyl-7-propyl-1,2,5,6-tetrahydronaphthalene
CID 123379197
2-ethoxy-4-methylpenta-1,3-diene
CID 90130900
4-ethyl-2,3-dihydro-1H-pyridin-6-one
CID 89096118

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene (CID 145324638) is 4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene is C=C(C=C(C)C)C1=C(C)C=C(CC)CC1.
What is the InChIKey of 4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene?
The InChIKey is ROBSHJPNLOPKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-6-14-7-8-15(13(5)10-14)12(4)9-11(2)3/h9-10H,4,6-8H2,1-3,5H3.
What are the key properties of 4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene?
4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene has a molecular weight of 202.34 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1-(4-methylpenta-1,3-dien-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 145324638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).