(6S)-6-iodo-2-methylhept-2-ene

C8H15I — CID 154715893

IUPAC(6S)-6-iodo-2-methylhept-2-ene
SMILESCC(C)=CCC[C@H](C)I
InChIInChI=1S/C8H15I/c1-7(2)5-4-6-8(3)9/h5,8H,4,6H2,1-3H3/t8-/m0/s1
InChIKeyDPSXUHNVPLHRHI-QMMMGPOBSA-N
MW238.11 g/mol
LogP3.56
Rot. Bonds3

About (6S)-6-iodo-2-methylhept-2-ene

(6S)-6-iodo-2-methylhept-2-ene (PubChem CID 154715893) has the molecular formula C8H15I and a molecular weight of 238.11 g/mol. Its IUPAC name is (6S)-6-iodo-2-methylhept-2-ene.

Molecular Properties

Compound Name(6S)-6-iodo-2-methylhept-2-ene
PubChem CID154715893
Molecular FormulaC8H15I
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name(6S)-6-iodo-2-methylhept-2-ene
SMILESCC(C)=CCC[C@H](C)I
InChIInChI=1S/C8H15I/c1-7(2)5-4-6-8(3)9/h5,8H,4,6H2,1-3H3/t8-/m0/s1
InChIKeyDPSXUHNVPLHRHI-QMMMGPOBSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Geraniolene
CID 81203
2,6,10-Trimethyldodeca-2,6,10-triene
CID 4475483
2-Methyl-2-heptene
CID 12330
(6E,10E)-2,6,10-trimethyldodeca-2,6,10-triene
CID 444108
(6E)-2,6-dimethyl-2,6-octadiene
CID 5365898
1,5,9-Cyclododecatriene, 1,5,9-trimethyl-
CID 5365777
cis-2,6-Dimethyl-2,6-octadiene
CID 5352478
4-Methyl-3-heptene
CID 5364638
2-Methyl-1,5-heptadiene
CID 291987
(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 21734683
(Z)-4-Methylhept-3-ene
CID 5383005
(E)-3-Methyl-2-hexene
CID 5352660

Frequently Asked Questions

What is the IUPAC name of (6S)-6-iodo-2-methylhept-2-ene?
The IUPAC name of (6S)-6-iodo-2-methylhept-2-ene (CID 154715893) is (6S)-6-iodo-2-methylhept-2-ene.
What is the SMILES notation for (6S)-6-iodo-2-methylhept-2-ene?
The canonical SMILES for (6S)-6-iodo-2-methylhept-2-ene is CC(C)=CCC[C@H](C)I.
What is the InChIKey of (6S)-6-iodo-2-methylhept-2-ene?
The InChIKey is DPSXUHNVPLHRHI-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15I/c1-7(2)5-4-6-8(3)9/h5,8H,4,6H2,1-3H3/t8-/m0/s1.
What are the key properties of (6S)-6-iodo-2-methylhept-2-ene?
(6S)-6-iodo-2-methylhept-2-ene has a molecular weight of 238.11 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-iodo-2-methylhept-2-ene is sourced from PubChem (CID 154715893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).