3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride

C13H23ClO — CID 123734463

IUPAC3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride
SMILESCC1(C)CCCC(C(=O)Cl)CC(C)(C)C1
InChIInChI=1S/C13H23ClO/c1-12(2)7-5-6-10(11(14)15)8-13(3,4)9-12/h10H,5-9H2,1-4H3
InChIKeyDGOPQYKHIPFJEZ-UHFFFAOYSA-N
MW230.78 g/mol
LogP4.38
Rot. Bonds1

About 3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride

3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride (PubChem CID 123734463) has the molecular formula C13H23ClO and a molecular weight of 230.78 g/mol. Its IUPAC name is 3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride.

Molecular Properties

Compound Name3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride
PubChem CID123734463
Molecular FormulaC13H23ClO
Molecular Weight230.78 g/mol
Exact Mass230.14
IUPAC Name3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride
SMILESCC1(C)CCCC(C(=O)Cl)CC(C)(C)C1
InChIInChI=1S/C13H23ClO/c1-12(2)7-5-6-10(11(14)15)8-13(3,4)9-12/h10H,5-9H2,1-4H3
InChIKeyDGOPQYKHIPFJEZ-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7,7-trimethylcycloundecane-1-carbonyl chloride
CID 130223944
acetaldehyde;1-(3,3-dimethylcyclohexyl)ethanone
CID 21325815
1-(3,3-dimethylcyclohexyl)butan-1-one
CID 21325814
5,5-dimethylcyclooctane-1-carbohydrazide
CID 134203092
2,2,4,4-tetramethylcyclohexane-1-carbonyl chloride
CID 169447512
2-bromo-1-(3,3,5,5-tetramethylcyclohexyl)ethanone
CID 87494796
7,7-dimethylspiro[2.5]octane-2-carboxamide
CID 91525320
N-(3,3-dimethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682231
N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide
CID 100650712
3-amino-3-methylcyclohexane-1-carboxylic acid
CID 76540994
N-(3,3,5,5-tetramethylcyclohexyl)cyclopropanecarboxamide
CID 112568442
3,3-dimethylcyclopentane-1-carboxamide
CID 58806265

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride?
The IUPAC name of 3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride (CID 123734463) is 3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride.
What is the SMILES notation for 3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride?
The canonical SMILES for 3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride is CC1(C)CCCC(C(=O)Cl)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride?
The InChIKey is DGOPQYKHIPFJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClO/c1-12(2)7-5-6-10(11(14)15)8-13(3,4)9-12/h10H,5-9H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride?
3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride has a molecular weight of 230.78 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethylcyclooctane-1-carbonyl chloride is sourced from PubChem (CID 123734463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).