cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol

C13H19IO — CID 10734300

IUPACcis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol
SMILESC=C=C[C@]1(O)CC[C@@]1(C)CCC/C=C\I
InChIInChI=1S/C13H19IO/c1-3-7-13(15)10-9-12(13,2)8-5-4-6-11-14/h6-7,11,15H,1,4-5,8-10H2,2H3/b11-6-/t12-,13+/m1/s1
InChIKeyGNEWZLLIRMCXPS-CUBYMHMKSA-N
MW318.20 g/mol
LogP3.98
Rot. Bonds5

About cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol

cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol (PubChem CID 10734300) has the molecular formula C13H19IO and a molecular weight of 318.20 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol
PubChem CID10734300
Molecular FormulaC13H19IO
Molecular Weight318.20 g/mol
Exact Mass318.05
IUPAC Namecis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol
SMILESC=C=C[C@]1(O)CC[C@@]1(C)CCC/C=C\I
InChIInChI=1S/C13H19IO/c1-3-7-13(15)10-9-12(13,2)8-5-4-6-11-14/h6-7,11,15H,1,4-5,8-10H2,2H3/b11-6-/t12-,13+/m1/s1
InChIKeyGNEWZLLIRMCXPS-CUBYMHMKSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 101389500
1-methyl-1-propa-1,2-dienylcyclopentadecane
CID 174968799
1-methyl-1-[(Z)-6-(1-methylcyclobutyl)hex-2-enyl]cyclobutane
CID 168783124
(E)-1-iodopentadec-1-ene
CID 13225447
(E)-1-iodotetradec-1-ene
CID 11359152
1-iodooctadec-1-ene
CID 91510729
1-propa-1,2-dienylcyclopentan-1-ol
CID 11344016
(2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 136913167
(1-propa-1,2-dienylcyclooctyl) acetate
CID 102074040
methyl (1S,2R,3R)-3-ethenyl-2-hydroxy-2-methyl-1-penta-3,4-dienylcyclopentane-1-carboxylate
CID 129011744
1,1-difluoro-3-methyl-3-propa-1,2-dienylcyclobutane
CID 170194863
ethane;formic acid;methanamine;1-[(Z)-9-(1-methylcyclopentyl)non-4-enyl]cyclopentane-1-carboxylic acid
CID 145356488

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol (CID 10734300) is cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol is C=C=C[C@]1(O)CC[C@@]1(C)CCC/C=C\I.
What is the InChIKey of cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol?
The InChIKey is GNEWZLLIRMCXPS-CUBYMHMKSA-N. The full InChI is InChI=1S/C13H19IO/c1-3-7-13(15)10-9-12(13,2)8-5-4-6-11-14/h6-7,11,15H,1,4-5,8-10H2,2H3/b11-6-/t12-,13+/m1/s1.
What are the key properties of cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol?
cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol has a molecular weight of 318.20 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(Z)-5-iodopent-4-enyl]-2-methyl-1-propa-1,2-dienylcyclobutan-1-ol is sourced from PubChem (CID 10734300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).