(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene

C12H18 — CID 23182356

IUPAC(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene
SMILESC/C=C/C/C1=C/CC/C=C\CC1
InChIInChI=1S/C12H18/c1-2-3-9-12-10-7-5-4-6-8-11-12/h2-5,11H,6-10H2,1H3/b3-2+,5-4-,12-11-
InChIKeyTYTNAZGJFBGONE-UYRWCQOXSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds2

About (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene

(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene (PubChem CID 23182356) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene.

Molecular Properties

Compound Name(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene
PubChem CID23182356
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene
SMILESC/C=C/C/C1=C/CC/C=C\CC1
InChIInChI=1S/C12H18/c1-2-3-9-12-10-7-5-4-6-8-11-12/h2-5,11H,6-10H2,1H3/b3-2+,5-4-,12-11-
InChIKeyTYTNAZGJFBGONE-UYRWCQOXSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
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

1,2-bis(but-2-enyl)cycloocta-1,5-diene
CID 173112409
1-(2-methylprop-2-enyl)cycloocta-1,5-diene
CID 10170477
(1E,5E,9E)-1-(methylsulfonylmethyl)cyclododeca-1,5,9-triene
CID 10491187
1-but-2-enylcycloocta-1,3-diene;ruthenium
CID 173229363
(E)-5-(cyclopenten-1-yl)pent-3-en-1-amine
CID 131248584
cyclohepta-1,4-dien-1-ylmethanamine
CID 139435596
(1E,5Z)-1-[(1E,5Z)-cycloocta-1,5-dien-1-yl]cycloocta-1,5-diene
CID 155804319
palladium(2+);(1E,5Z)-1-prop-2-enylcycloocta-1,5-diene;bis(4-(trifluoromethyl)benzenesulfonate)
CID 173368813
2-[(Z)-but-2-enyl]-4-cyclohexa-1,5-dien-1-yl-6-(4-methylphenyl)-1,3,5-triazine
CID 144691952
cycloocta-1,5-diene-1-carbonitrile
CID 130113542
(1E,5Z)-1-propan-2-ylcycloocta-1,5-diene
CID 20800721
[4-[(Z)-but-2-enyl]-1-methylcyclohept-3-en-1-yl]-[(E)-hex-2-enyl]phosphane
CID 174148105

Frequently Asked Questions

What is the IUPAC name of (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene?
The IUPAC name of (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene (CID 23182356) is (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene.
What is the SMILES notation for (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene?
The canonical SMILES for (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene is C/C=C/C/C1=C/CC/C=C\CC1.
What is the InChIKey of (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene?
The InChIKey is TYTNAZGJFBGONE-UYRWCQOXSA-N. The full InChI is InChI=1S/C12H18/c1-2-3-9-12-10-7-5-4-6-8-11-12/h2-5,11H,6-10H2,1H3/b3-2+,5-4-,12-11-.
What are the key properties of (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene?
(1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z)-1-[(E)-but-2-enyl]cycloocta-1,5-diene is sourced from PubChem (CID 23182356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).