(3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol

C14H23IO — CID 10892975

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

About (3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol

(3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol (PubChem CID 10892975) has the molecular formula C14H23IO and a molecular weight of 334.24 g/mol. Its IUPAC name is (3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol.

Molecular Properties

Compound Name(3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol
PubChem CID10892975
Molecular FormulaC14H23IO
Molecular Weight334.24 g/mol
Exact Mass334.08
IUPAC Name(3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol
SMILESC=C(C)/C=C(\I)CC(C)(O)CCC=C(C)C
InChIInChI=1S/C14H23IO/c1-11(2)7-6-8-14(5,16)10-13(15)9-12(3)4/h7,9,16H,3,6,8,10H2,1-2,4-5H3/b13-9-
InChIKeyOHQKBQNDBNEZBB-LCYFTJDESA-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'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol?
The IUPAC name of (3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol (CID 10892975) is (3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol.
What is the SMILES notation for (3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol?
The canonical SMILES for (3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol is C=C(C)/C=C(\I)CC(C)(O)CCC=C(C)C.
What is the InChIKey of (3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol?
The InChIKey is OHQKBQNDBNEZBB-LCYFTJDESA-N. The full InChI is InChI=1S/C14H23IO/c1-11(2)7-6-8-14(5,16)10-13(15)9-12(3)4/h7,9,16H,3,6,8,10H2,1-2,4-5H3/b13-9-.
What are the key properties of (3Z)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol?
(3Z)-4-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)-4-iodo-2,6,10-trimethylundeca-1,3,9-trien-6-ol is sourced from PubChem (CID 10892975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).