(6R)-1-iodo-6-pentylcyclohexene

C11H19I — CID 101240522

IUPAC(6R)-1-iodo-6-pentylcyclohexene
SMILESCCCCC[C@@H]1CCCC=C1I
InChIInChI=1S/C11H19I/c1-2-3-4-7-10-8-5-6-9-11(10)12/h9-10H,2-8H2,1H3/t10-/m1/s1
InChIKeyKTMLMDBBMHDIPA-SNVBAGLBSA-N
MW278.18 g/mol
LogP4.69
Rot. Bonds4

About (6R)-1-iodo-6-pentylcyclohexene

(6R)-1-iodo-6-pentylcyclohexene (PubChem CID 101240522) has the molecular formula C11H19I and a molecular weight of 278.18 g/mol. Its IUPAC name is (6R)-1-iodo-6-pentylcyclohexene.

Molecular Properties

Compound Name(6R)-1-iodo-6-pentylcyclohexene
PubChem CID101240522
Molecular FormulaC11H19I
Molecular Weight278.18 g/mol
Exact Mass278.05
IUPAC Name(6R)-1-iodo-6-pentylcyclohexene
SMILESCCCCC[C@@H]1CCCC=C1I
InChIInChI=1S/C11H19I/c1-2-3-4-7-10-8-5-6-9-11(10)12/h9-10H,2-8H2,1H3/t10-/m1/s1
InChIKeyKTMLMDBBMHDIPA-SNVBAGLBSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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CID 13297854
2-decylcyclopentan-1-one
CID 12823821
(2R)-2-pentylcyclohexan-1-one
CID 86310435
3-decyl-1-methylpiperidin-2-one
CID 175348950
3-pentylcyclohexane-1,2-dione
CID 67378390
2-nonylcyclododecan-1-one
CID 14296722
1-(1-butylcyclohex-2-en-1-yl)-6-octadec-9-enylcyclohexene
CID 173156406
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
3-pentyl-oxacyclohexadecane-2,16-dione
CID 20572463
3-dodecylpiperidin-2-one
CID 67992079
6-heptylcyclohex-2-en-1-one
CID 19005489

Frequently Asked Questions

What is the IUPAC name of (6R)-1-iodo-6-pentylcyclohexene?
The IUPAC name of (6R)-1-iodo-6-pentylcyclohexene (CID 101240522) is (6R)-1-iodo-6-pentylcyclohexene.
What is the SMILES notation for (6R)-1-iodo-6-pentylcyclohexene?
The canonical SMILES for (6R)-1-iodo-6-pentylcyclohexene is CCCCC[C@@H]1CCCC=C1I.
What is the InChIKey of (6R)-1-iodo-6-pentylcyclohexene?
The InChIKey is KTMLMDBBMHDIPA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19I/c1-2-3-4-7-10-8-5-6-9-11(10)12/h9-10H,2-8H2,1H3/t10-/m1/s1.
What are the key properties of (6R)-1-iodo-6-pentylcyclohexene?
(6R)-1-iodo-6-pentylcyclohexene has a molecular weight of 278.18 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-iodo-6-pentylcyclohexene is sourced from PubChem (CID 101240522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).