1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane

C13H23I — CID 101180288

IUPAC1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane
SMILESCC/C(I)=C(\CC)C1(CC)CC1CC
InChIInChI=1S/C13H23I/c1-5-10-9-13(10,8-4)11(6-2)12(14)7-3/h10H,5-9H2,1-4H3/b12-11-
InChIKeyGWPMVXCZGOBVJN-QXMHVHEDSA-N
MW306.23 g/mol
LogP5.32
Rot. Bonds5

About 1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane

1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane (PubChem CID 101180288) has the molecular formula C13H23I and a molecular weight of 306.23 g/mol. Its IUPAC name is 1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane.

Molecular Properties

Compound Name1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane
PubChem CID101180288
Molecular FormulaC13H23I
Molecular Weight306.23 g/mol
Exact Mass306.08
IUPAC Name1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane
SMILESCC/C(I)=C(\CC)C1(CC)CC1CC
InChIInChI=1S/C13H23I/c1-5-10-9-13(10,8-4)11(6-2)12(14)7-3/h10H,5-9H2,1-4H3/b12-11-
InChIKeyGWPMVXCZGOBVJN-QXMHVHEDSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.23
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 130214730
1-amino-2-ethylcyclopropan-1-ol
CID 163837248
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CID 57080968
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
[(1R,2R)-2-ethyl-2-iodocyclopropyl]methanol
CID 14944096
1-cyclopropyl-1,2-diethylcyclopropane
CID 123652648
1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one
CID 73028038
(1,2-diethylcyclopentanecarbonyl)phosphonic acid
CID 57348632
1,3-diethyl-1,2,2-trimethylcyclopentane
CID 123762745
cis-(1R,2S)-1-(2-chloroethyl)-2-ethylcyclopropan-1-ol
CID 15528876
1-[(1R,2S)-2-ethyl-1-methylcyclopropyl]ethanone
CID 89117681
(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid
CID 155897633

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane?
The IUPAC name of 1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane (CID 101180288) is 1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane.
What is the SMILES notation for 1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane?
The canonical SMILES for 1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane is CC/C(I)=C(\CC)C1(CC)CC1CC.
What is the InChIKey of 1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane?
The InChIKey is GWPMVXCZGOBVJN-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H23I/c1-5-10-9-13(10,8-4)11(6-2)12(14)7-3/h10H,5-9H2,1-4H3/b12-11-.
What are the key properties of 1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane?
1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane has a molecular weight of 306.23 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1-[(Z)-4-iodohex-3-en-3-yl]cyclopropane is sourced from PubChem (CID 101180288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).