(6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine

C15H26I2O — CID 159602893

IUPAC(6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine
SMILESCC1C/C=C\CCCCCCCC(=O)CC1.II
InChIInChI=1S/C15H26O.I2/c1-14-10-8-6-4-2-3-5-7-9-11-15(16)13-12-14;1-2/h6,8,14H,2-5,7,9-13H2,1H3;/b8-6-;
InChIKeyMLSBEIXSYSPQIP-PHZXCRFESA-N
MW476.18 g/mol
LogP6.43
Rot. Bonds

About (6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine

(6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine (PubChem CID 159602893) has the molecular formula C15H26I2O and a molecular weight of 476.18 g/mol. Its IUPAC name is (6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine.

Molecular Properties

Compound Name(6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine
PubChem CID159602893
Molecular FormulaC15H26I2O
Molecular Weight476.18 g/mol
Exact Mass476.01
IUPAC Name(6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine
SMILESCC1C/C=C\CCCCCCCC(=O)CC1.II
InChIInChI=1S/C15H26O.I2/c1-14-10-8-6-4-2-3-5-7-9-11-15(16)13-12-14;1-2/h6,8,14H,2-5,7,9-13H2,1H3;/b8-6-;
InChIKeyMLSBEIXSYSPQIP-PHZXCRFESA-N
XLogP6.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.18
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine?
The IUPAC name of (6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine (CID 159602893) is (6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine.
What is the SMILES notation for (6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine?
The canonical SMILES for (6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine is CC1C/C=C\CCCCCCCC(=O)CC1.II.
What is the InChIKey of (6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine?
The InChIKey is MLSBEIXSYSPQIP-PHZXCRFESA-N. The full InChI is InChI=1S/C15H26O.I2/c1-14-10-8-6-4-2-3-5-7-9-11-15(16)13-12-14;1-2/h6,8,14H,2-5,7,9-13H2,1H3;/b8-6-;.
What are the key properties of (6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine?
(6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine has a molecular weight of 476.18 g/mol, XLogP of 6.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-4-methylcyclotetradec-6-en-1-one;molecular iodine is sourced from PubChem (CID 159602893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).