(E)-12-iodododec-3-en-1-ol

C12H23IO — CID 163205046

IUPAC(E)-12-iodododec-3-en-1-ol
SMILESOCC/C=C/CCCCCCCCI
InChIInChI=1S/C12H23IO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h6,8,14H,1-5,7,9-12H2/b8-6+
InChIKeyGNGGFNYZZFMPDO-SOFGYWHQSA-N
MW310.22 g/mol
LogP4.09
Rot. Bonds10

About (E)-12-iodododec-3-en-1-ol

(E)-12-iodododec-3-en-1-ol (PubChem CID 163205046) has the molecular formula C12H23IO and a molecular weight of 310.22 g/mol. Its IUPAC name is (E)-12-iodododec-3-en-1-ol.

Molecular Properties

Compound Name(E)-12-iodododec-3-en-1-ol
PubChem CID163205046
Molecular FormulaC12H23IO
Molecular Weight310.22 g/mol
Exact Mass310.08
IUPAC Name(E)-12-iodododec-3-en-1-ol
SMILESOCC/C=C/CCCCCCCCI
InChIInChI=1S/C12H23IO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h6,8,14H,1-5,7,9-12H2/b8-6+
InChIKeyGNGGFNYZZFMPDO-SOFGYWHQSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

heptadec-3-en-1-ol
CID 86130004
(Z)-12-bromododec-3-en-1-ol
CID 163205087
(Z)-16-chlorohexadec-3-en-1-ol
CID 163204745
1-chloro-12-iodododec-2-ene
CID 171472192
1-iodooctadec-9-ene
CID 54335448
(E)-17-bromoheptadec-3-en-1-ol
CID 163204836
(Z)-14-fluorotetradec-3-en-1-ol
CID 86739508
(Z)-13-chlorotridec-3-en-1-ol
CID 163204990
(E)-heptadec-3-en-1-ol
CID 170849265
(E)-1-iodoheptadec-8-ene
CID 118861241
hexadec-8-ene-1,16-diol
CID 54395986
(E)-7-iodohept-4-en-1-ol
CID 6376837

Frequently Asked Questions

What is the IUPAC name of (E)-12-iodododec-3-en-1-ol?
The IUPAC name of (E)-12-iodododec-3-en-1-ol (CID 163205046) is (E)-12-iodododec-3-en-1-ol.
What is the SMILES notation for (E)-12-iodododec-3-en-1-ol?
The canonical SMILES for (E)-12-iodododec-3-en-1-ol is OCC/C=C/CCCCCCCCI.
What is the InChIKey of (E)-12-iodododec-3-en-1-ol?
The InChIKey is GNGGFNYZZFMPDO-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H23IO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h6,8,14H,1-5,7,9-12H2/b8-6+.
What are the key properties of (E)-12-iodododec-3-en-1-ol?
(E)-12-iodododec-3-en-1-ol has a molecular weight of 310.22 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-iodododec-3-en-1-ol is sourced from PubChem (CID 163205046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).