[(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane

C13H21I — CID 89170399

IUPAC[(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane
SMILESC=C(CC/C(I)=C\C)C1CCCCC1
InChIInChI=1S/C13H21I/c1-3-13(14)10-9-11(2)12-7-5-4-6-8-12/h3,12H,2,4-10H2,1H3/b13-3+
InChIKeyAUIYVPDQXKWKDY-QLKAYGNNSA-N
MW304.21 g/mol
LogP5.24
Rot. Bonds4

About [(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane

[(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane (PubChem CID 89170399) has the molecular formula C13H21I and a molecular weight of 304.21 g/mol. Its IUPAC name is [(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane.

Molecular Properties

Compound Name[(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane
PubChem CID89170399
Molecular FormulaC13H21I
Molecular Weight304.21 g/mol
Exact Mass304.07
IUPAC Name[(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane
SMILESC=C(CC/C(I)=C\C)C1CCCCC1
InChIInChI=1S/C13H21I/c1-3-13(14)10-9-11(2)12-7-5-4-6-8-12/h3,12H,2,4-10H2,1H3/b13-3+
InChIKeyAUIYVPDQXKWKDY-QLKAYGNNSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.21
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-methylhexa-1,5-dien-2-ylcyclohexane
CID 123720137
3-cyclopentyl-N-methylbut-3-en-1-amine
CID 117269178
5-cyclohexylhex-1-en-2-ylcyclohexane
CID 57058746
3-bromoprop-1-en-2-ylcyclopentane
CID 66872337
3-cyclopropyl-N-methylbut-3-en-1-amine
CID 117269164
4-methylpenta-1,3-dien-2-ylcyclohexane
CID 145299329
5-isocyanatopent-1-en-2-ylcyclohexane
CID 101481102
7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene
CID 90977490
hepta-1,3,5-trien-2-ylcyclohexane
CID 123932663
3-methylbuta-1,3-dien-2-ylcyclohexane
CID 123355728
(Z)-3-cyclohexylhex-3-ene-1,6-dithiol
CID 87126664
(1-cyclohexyl-2-ethylpent-1-enyl)cyclohexane
CID 172560766

Frequently Asked Questions

What is the IUPAC name of [(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane?
The IUPAC name of [(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane (CID 89170399) is [(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane.
What is the SMILES notation for [(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane?
The canonical SMILES for [(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane is C=C(CC/C(I)=C\C)C1CCCCC1.
What is the InChIKey of [(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane?
The InChIKey is AUIYVPDQXKWKDY-QLKAYGNNSA-N. The full InChI is InChI=1S/C13H21I/c1-3-13(14)10-9-11(2)12-7-5-4-6-8-12/h3,12H,2,4-10H2,1H3/b13-3+.
What are the key properties of [(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane?
[(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane has a molecular weight of 304.21 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane is sourced from PubChem (CID 89170399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).