1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene

C14H20 — CID 145256525

IUPAC1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene
SMILESC=CC(C)/C=C\C1=C(C)CCC=C1C
InChIInChI=1S/C14H20/c1-5-11(2)9-10-14-12(3)7-6-8-13(14)4/h5,7,9-11H,1,6,8H2,2-4H3/b10-9-
InChIKeyUSPWCHBJMXABOU-KTKRTIGZSA-N
MW188.31 g/mol
LogP4.42
Rot. Bonds3

About 1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene

1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene (PubChem CID 145256525) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene
PubChem CID145256525
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene
SMILESC=CC(C)/C=C\C1=C(C)CCC=C1C
InChIInChI=1S/C14H20/c1-5-11(2)9-10-14-12(3)7-6-8-13(14)4/h5,7,9-11H,1,6,8H2,2-4H3/b10-9-
InChIKeyUSPWCHBJMXABOU-KTKRTIGZSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclopentene
CID 144652064
(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine;ethane;prop-1-ene
CID 163245069
(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
CID 163245070
ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
CID 143703255
3-chloro-1-methyl-2-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 167200063
2,6-dimethylcyclohexa-1,5-dien-1-ol
CID 14982407
3-chloro-1-methyl-2-propan-2-ylcyclohexa-1,3-diene
CID 153352774
(3S,4E)-3-methylhexa-1,4-diene
CID 173019569
1-(2,6-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 169233651
(3E)-5-methylhepta-1,3,6-triene
CID 5367027
1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene
CID 145498345
ethane;3-methylpenta-1,4-diene
CID 144868161

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene?
The IUPAC name of 1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene (CID 145256525) is 1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene.
What is the SMILES notation for 1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene?
The canonical SMILES for 1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene is C=CC(C)/C=C\C1=C(C)CCC=C1C.
What is the InChIKey of 1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene?
The InChIKey is USPWCHBJMXABOU-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H20/c1-5-11(2)9-10-14-12(3)7-6-8-13(14)4/h5,7,9-11H,1,6,8H2,2-4H3/b10-9-.
What are the key properties of 1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene?
1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene has a molecular weight of 188.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[(1Z)-3-methylpenta-1,4-dienyl]cyclohexa-1,3-diene is sourced from PubChem (CID 145256525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).