4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene

C10H17I — CID 70595713

IUPAC4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
SMILESIC1CCCCC2CCCC12
InChIInChI=1S/C10H17I/c11-10-7-2-1-4-8-5-3-6-9(8)10/h8-10H,1-7H2
InChIKeyIZDRQCLABMTKHJ-UHFFFAOYSA-N
MW264.15 g/mol
LogP3.78
Rot. Bonds

About 4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene

4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene (PubChem CID 70595713) has the molecular formula C10H17I and a molecular weight of 264.15 g/mol. Its IUPAC name is 4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene.

Molecular Properties

Compound Name4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
PubChem CID70595713
Molecular FormulaC10H17I
Molecular Weight264.15 g/mol
Exact Mass264.04
IUPAC Name4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
SMILESIC1CCCCC2CCCC12
InChIInChI=1S/C10H17I/c11-10-7-2-1-4-8-5-3-6-9(8)10/h8-10H,1-7H2
InChIKeyIZDRQCLABMTKHJ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 53.78
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'}

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Related Compounds

(1R,3aS,6aS)-1-iodo-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 130311161
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(1R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 54106302
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
1-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 68614086
(14R)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene;propan-2-ol
CID 156740925
(2-cyclopropylcyclobutyl)cyclopentane
CID 54374966

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
The IUPAC name of 4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene (CID 70595713) is 4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene.
What is the SMILES notation for 4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
The canonical SMILES for 4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene is IC1CCCCC2CCCC12.
What is the InChIKey of 4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
The InChIKey is IZDRQCLABMTKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17I/c11-10-7-2-1-4-8-5-3-6-9(8)10/h8-10H,1-7H2.
What are the key properties of 4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene?
4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene has a molecular weight of 264.15 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene is sourced from PubChem (CID 70595713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).