(Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene

C13H22I2S — CID 155040129

IUPAC(Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene
SMILESC=C(S/C(=C\C)C(C)(I)CC)C(C)(I)CC
InChIInChI=1S/C13H22I2S/c1-7-11(13(6,15)9-3)16-10(4)12(5,14)8-2/h7H,4,8-9H2,1-3,5-6H3/b11-7-
InChIKeyDVPJHMDSOJCVMT-XFFZJAGNSA-N
MW464.19 g/mol
LogP6.34
Rot. Bonds6

About (Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene

(Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene (PubChem CID 155040129) has the molecular formula C13H22I2S and a molecular weight of 464.19 g/mol. Its IUPAC name is (Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene.

Molecular Properties

Compound Name(Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene
PubChem CID155040129
Molecular FormulaC13H22I2S
Molecular Weight464.19 g/mol
Exact Mass463.95
IUPAC Name(Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene
SMILESC=C(S/C(=C\C)C(C)(I)CC)C(C)(I)CC
InChIInChI=1S/C13H22I2S/c1-7-11(13(6,15)9-3)16-10(4)12(5,14)8-2/h7H,4,8-9H2,1-3,5-6H3/b11-7-
InChIKeyDVPJHMDSOJCVMT-XFFZJAGNSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.19
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-dimethylpent-1-en-2-ylsulfanyl)prop-2-enal
CID 142929662
(Z)-3-(3,3-dimethylbut-1-en-2-ylsulfanyl)-2,2-dimethylundec-3-ene
CID 89308198
(2S)-2-iodobutan-2-ol
CID 126611697
1-[(Z)-pent-2-en-3-yl]sulfanylethenamine
CID 171562987
4-ethyl-3-ethylidene-2,4-dimethylhex-1-ene
CID 123616269
N-methyl-1-(2-methylbutan-2-ylsulfanyl)ethenamine
CID 163411692
(Z)-4,4-dimethyl-3-[(Z)-prop-1-enyl]sulfanylpent-2-ene
CID 170213109
1,1-diiodopropan-1-ol
CID 54306694
2,2-dimethylbutane;2-methylbut-2-ene
CID 142603024
(Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane
CID 143588223
3,3-dimethylbut-1-en-2-yl N-(3,3-dimethylbut-1-en-2-yl)propanimidothioate
CID 123851210
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683

Frequently Asked Questions

What is the IUPAC name of (Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene?
The IUPAC name of (Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene (CID 155040129) is (Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene.
What is the SMILES notation for (Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene?
The canonical SMILES for (Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene is C=C(S/C(=C\C)C(C)(I)CC)C(C)(I)CC.
What is the InChIKey of (Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene?
The InChIKey is DVPJHMDSOJCVMT-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H22I2S/c1-7-11(13(6,15)9-3)16-10(4)12(5,14)8-2/h7H,4,8-9H2,1-3,5-6H3/b11-7-.
What are the key properties of (Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene?
(Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene has a molecular weight of 464.19 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-iodo-3-(3-iodo-3-methylpent-1-en-2-yl)sulfanyl-4-methylhex-2-ene is sourced from PubChem (CID 155040129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).