(1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol

C10H14O — CID 145053129

IUPAC(1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol
SMILESCCC1=CC/C=C(/O)C/C=C\1
InChIInChI=1S/C10H14O/c1-2-9-5-3-7-10(11)8-4-6-9/h3,5-6,8,11H,2,4,7H2,1H3/b5-3-,9-6?,10-8+
InChIKeyJSQPLDGGVBXPDU-BGWBVZTMSA-N
MW150.22 g/mol
LogP3.11
Rot. Bonds1

About (1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol

(1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol (PubChem CID 145053129) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol.

Molecular Properties

Compound Name(1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol
PubChem CID145053129
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol
SMILESCCC1=CC/C=C(/O)C/C=C\1
InChIInChI=1S/C10H14O/c1-2-9-5-3-7-10(11)8-4-6-9/h3,5-6,8,11H,2,4,7H2,1H3/b5-3-,9-6?,10-8+
InChIKeyJSQPLDGGVBXPDU-BGWBVZTMSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-ethyl-8-methylidenecycloocta-1,4,6-trien-1-yl)methanol
CID 123912422
N-[(1E,4Z)-2,6-diethylcycloocta-1,4,6-trien-1-yl]ethanimine;ethane
CID 143345765
ethane;2-propylcyclopenta-1,3-diene
CID 142052577
5-[[(1E,4Z,6Z)-5-ethylcycloocta-1,4,6-trien-1-yl]oxymethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 143995504
(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-ol
CID 143207326
(3Z)-4-ethyl-1-azacyclodeca-3,5,8,9,10-pentaene
CID 163889597
2-heptadecylcyclopenta-1,3-diene
CID 91156945
3-ethoxy-5-ethyl-2-methoxycyclohepta-1,3,5-triene
CID 144669716
2-[(1Z)-1,4,4-triamino-3-(4-ethyl-2,7-dihydroazepin-1-yl)buta-1,3-dienyl]phenol
CID 155739964
2-(3-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 87447368
2-(methylsulfanylmethyl)cyclopenta-1,3-diene
CID 22555406
5-(hydroxymethyl)cyclohepta-1,4,6-trien-1-ol
CID 143593276

Frequently Asked Questions

What is the IUPAC name of (1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol?
The IUPAC name of (1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol (CID 145053129) is (1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol.
What is the SMILES notation for (1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol?
The canonical SMILES for (1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol is CCC1=CC/C=C(/O)C/C=C\1.
What is the InChIKey of (1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol?
The InChIKey is JSQPLDGGVBXPDU-BGWBVZTMSA-N. The full InChI is InChI=1S/C10H14O/c1-2-9-5-3-7-10(11)8-4-6-9/h3,5-6,8,11H,2,4,7H2,1H3/b5-3-,9-6?,10-8+.
What are the key properties of (1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol?
(1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol has a molecular weight of 150.22 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6Z)-5-ethylcycloocta-1,4,6-trien-1-ol is sourced from PubChem (CID 145053129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).