6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride

C10H15ClO3S — CID 154549609

IUPAC6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride
SMILESCC(C)OC1=CC(C)C(S(=O)(=O)Cl)C=C1
InChIInChI=1S/C10H15ClO3S/c1-7(2)14-9-4-5-10(8(3)6-9)15(11,12)13/h4-8,10H,1-3H3
InChIKeyBBWQUVQOIDPELV-UHFFFAOYSA-N
MW250.75 g/mol
LogP2.44
Rot. Bonds3

About 6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride

6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride (PubChem CID 154549609) has the molecular formula C10H15ClO3S and a molecular weight of 250.75 g/mol. Its IUPAC name is 6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride.

Molecular Properties

Compound Name6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride
PubChem CID154549609
Molecular FormulaC10H15ClO3S
Molecular Weight250.75 g/mol
Exact Mass250.04
IUPAC Name6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride
SMILESCC(C)OC1=CC(C)C(S(=O)(=O)Cl)C=C1
InChIInChI=1S/C10H15ClO3S/c1-7(2)14-9-4-5-10(8(3)6-9)15(11,12)13/h4-8,10H,1-3H3
InChIKeyBBWQUVQOIDPELV-UHFFFAOYSA-N
XLogP2.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methoxy-6-methylcyclohexa-2,4-diene-1-sulfonyl chloride
CID 21962340
(5R)-2-methoxy-5-methyl-6-methylsulfonylcyclohexa-1,3-diene
CID 129196348
(2E,4Z)-3-methoxyhepta-2,4-diene-1-sulfonyl chloride
CID 134448894
Sodium 6-methyl-6-prop-1-enoxycyclohexa-2,4-diene-1-sulfonate
CID 140206217
6-Methyl-6-prop-1-enoxycyclohexa-2,4-diene-1-sulfonic acid
CID 140206218
Potassium 6-methyl-6-prop-1-enoxycyclohexa-2,4-diene-1-sulfonate
CID 140230405
5-Ethyl-2-methoxycyclohexa-1,3-diene-1-sulfonyl chloride
CID 176959985
(5S,6S)-5,6-dimethyl-2-(3-methylsulfonylpropoxy)cyclohexa-1,3-diene
CID 165001616

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride?
The IUPAC name of 6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride (CID 154549609) is 6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride.
What is the SMILES notation for 6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride?
The canonical SMILES for 6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride is CC(C)OC1=CC(C)C(S(=O)(=O)Cl)C=C1.
What is the InChIKey of 6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride?
The InChIKey is BBWQUVQOIDPELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO3S/c1-7(2)14-9-4-5-10(8(3)6-9)15(11,12)13/h4-8,10H,1-3H3.
What are the key properties of 6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride?
6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride has a molecular weight of 250.75 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-yloxycyclohexa-2,4-diene-1-sulfonyl chloride is sourced from PubChem (CID 154549609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).