(3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol

C14H23IO — CID 10991240

IUPAC(3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol
SMILESC=C(C)/C(I)=C/CC(C)(O)CCC=C(C)C
InChIInChI=1S/C14H23IO/c1-11(2)7-6-9-14(5,16)10-8-13(15)12(3)4/h7-8,16H,3,6,9-10H2,1-2,4-5H3/b13-8-
InChIKeySFJPHODESULUPR-JYRVWZFOSA-N
MW334.24 g/mol
LogP4.77
Rot. Bonds6

About (3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol

(3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol (PubChem CID 10991240) has the molecular formula C14H23IO and a molecular weight of 334.24 g/mol. Its IUPAC name is (3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol.

Molecular Properties

Compound Name(3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol
PubChem CID10991240
Molecular FormulaC14H23IO
Molecular Weight334.24 g/mol
Exact Mass334.08
IUPAC Name(3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol
SMILESC=C(C)/C(I)=C/CC(C)(O)CCC=C(C)C
InChIInChI=1S/C14H23IO/c1-11(2)7-6-9-14(5,16)10-8-13(15)12(3)4/h7-8,16H,3,6,9-10H2,1-2,4-5H3/b13-8-
InChIKeySFJPHODESULUPR-JYRVWZFOSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol with MolForge

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Related Compounds

5,9-dimethyldeca-2,8-dien-5-ol
CID 141182025
(4R)-4,8-dimethylnon-7-en-4-ol
CID 90181485
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
4,4,8-trimethylnon-7-enal
CID 121006941
(3R)-3,6-dimethylhept-5-ene-1,3-diol
CID 154719567
4,7-dimethylocta-1,6-dien-4-ol
CID 537672
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
2,6,10-trimethyldodeca-2,10-dien-6-ol
CID 174144692
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
2,7-dimethyl-2-prop-1-en-2-yloct-6-enoic acid
CID 175178863
2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile
CID 89309961
(2R,3R)-3,7-dimethyloct-6-ene-1,2,3-triol
CID 10976249

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol?
The IUPAC name of (3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol (CID 10991240) is (3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol.
What is the SMILES notation for (3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol?
The canonical SMILES for (3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol is C=C(C)/C(I)=C/CC(C)(O)CCC=C(C)C.
What is the InChIKey of (3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol?
The InChIKey is SFJPHODESULUPR-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H23IO/c1-11(2)7-6-9-14(5,16)10-8-13(15)12(3)4/h7-8,16H,3,6,9-10H2,1-2,4-5H3/b13-8-.
What are the key properties of (3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol?
(3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol has a molecular weight of 334.24 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol is sourced from PubChem (CID 10991240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).