(6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene

C15H23I — CID 89170954

IUPAC(6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene
SMILESCC1C=C2CCCCC(I)/C=C\CC2CC1
InChIInChI=1S/C15H23I/c1-12-9-10-13-6-4-8-15(16)7-3-2-5-14(13)11-12/h4,8,11-13,15H,2-3,5-7,9-10H2,1H3/b8-4-
InChIKeyGUNAEDZACZQIDA-YWEYNIOJSA-N
MW330.25 g/mol
LogP5.28
Rot. Bonds

About (6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene

(6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene (PubChem CID 89170954) has the molecular formula C15H23I and a molecular weight of 330.25 g/mol. Its IUPAC name is (6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene.

Molecular Properties

Compound Name(6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene
PubChem CID89170954
Molecular FormulaC15H23I
Molecular Weight330.25 g/mol
Exact Mass330.08
IUPAC Name(6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene
SMILESCC1C=C2CCCCC(I)/C=C\CC2CC1
InChIInChI=1S/C15H23I/c1-12-9-10-13-6-4-8-15(16)7-3-2-5-14(13)11-12/h4,8,11-13,15H,2-3,5-7,9-10H2,1H3/b8-4-
InChIKeyGUNAEDZACZQIDA-YWEYNIOJSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.25
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene?
The IUPAC name of (6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene (CID 89170954) is (6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene.
What is the SMILES notation for (6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene?
The canonical SMILES for (6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene is CC1C=C2CCCCC(I)/C=C\CC2CC1.
What is the InChIKey of (6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene?
The InChIKey is GUNAEDZACZQIDA-YWEYNIOJSA-N. The full InChI is InChI=1S/C15H23I/c1-12-9-10-13-6-4-8-15(16)7-3-2-5-14(13)11-12/h4,8,11-13,15H,2-3,5-7,9-10H2,1H3/b8-4-.
What are the key properties of (6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene?
(6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene has a molecular weight of 330.25 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8-iodo-2-methyl-2,3,4,4a,5,8,9,10,11,12-decahydrobenzo[10]annulene is sourced from PubChem (CID 89170954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).