(3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride

C11H15ClO — CID 163445637

IUPAC(3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride
SMILESCC1(C(=O)Cl)CC2C[C@@H]3CC3(C2)C1
InChIInChI=1S/C11H15ClO/c1-10(9(12)13)3-7-2-8-5-11(8,4-7)6-10/h7-8H,2-6H2,1H3/t7?,8-,10?,11?/m1/s1
InChIKeyBCGUKHGXIQRFAM-SSHYPLHYSA-N
MW198.69 g/mol
LogP2.97
Rot. Bonds1

About (3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride

(3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride (PubChem CID 163445637) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is (3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride.

Molecular Properties

Compound Name(3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride
PubChem CID163445637
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name(3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride
SMILESCC1(C(=O)Cl)CC2C[C@@H]3CC3(C2)C1
InChIInChI=1S/C11H15ClO/c1-10(9(12)13)3-7-2-8-5-11(8,4-7)6-10/h7-8H,2-6H2,1H3/t7?,8-,10?,11?/m1/s1
InChIKeyBCGUKHGXIQRFAM-SSHYPLHYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 52.97
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

tricyclo[3.1.1.01,3]heptane
CID 91477743
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CID 15048836
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CID 123180070
cis-(1R,2S)-1,2-dimethylcyclopropane-1,2-dicarbonyl chloride
CID 131845502
(2R)-2-chloro-2-[(5S,7R)-3-methyl-1-adamantyl]acetic acid
CID 129418689
1-(4-hydroxy-4-methyl-1-adamantyl)ethanone
CID 122499390
trans-(1S,2S)-2-chloro-2-fluoro-1-methylcyclopropane-1-carbonyl chloride
CID 45081433
benzene;1,3,7-trimethylbicyclo[3.3.1]nonane-3-carboxylic acid
CID 142519937
3,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 165386299
cis-(1R,2S)-1-methylcyclopropane-1,2-dicarbonyl chloride
CID 131845501
(1R)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 28875815
1,2,3-trimethyladamantan-2-ol
CID 139814607

Frequently Asked Questions

What is the IUPAC name of (3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride?
The IUPAC name of (3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride (CID 163445637) is (3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride.
What is the SMILES notation for (3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride?
The canonical SMILES for (3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride is CC1(C(=O)Cl)CC2C[C@@H]3CC3(C2)C1.
What is the InChIKey of (3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride?
The InChIKey is BCGUKHGXIQRFAM-SSHYPLHYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-10(9(12)13)3-7-2-8-5-11(8,4-7)6-10/h7-8H,2-6H2,1H3/t7?,8-,10?,11?/m1/s1.
What are the key properties of (3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride?
(3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride has a molecular weight of 198.69 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-methyltricyclo[3.3.1.01,3]nonane-7-carbonyl chloride is sourced from PubChem (CID 163445637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).