2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene

C11H18S — CID 145375515

IUPAC2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene
SMILESCCSC1=C(C(C)C)CCC=C1
InChIInChI=1S/C11H18S/c1-4-12-11-8-6-5-7-10(11)9(2)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyHWDLWCUKLHPJIY-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.00
Rot. Bonds3

About 2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene

2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene (PubChem CID 145375515) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene
PubChem CID145375515
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene
SMILESCCSC1=C(C(C)C)CCC=C1
InChIInChI=1S/C11H18S/c1-4-12-11-8-6-5-7-10(11)9(2)3/h6,8-9H,4-5,7H2,1-3H3
InChIKeyHWDLWCUKLHPJIY-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-di(propan-2-yl)cyclohexa-1,3-diene
CID 22218399
2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
CID 144673949
2-ethyl-1,3-di(propan-2-yl)cyclohexa-1,3-diene
CID 153335086
N-methyl-2-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
CID 177167286
1-ethylsulfanyl-3,5-di(propan-2-yl)benzene
CID 162469287
2-methyl-5-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-1,3,4-oxadiazole
CID 177167720
1-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 130368204
6-ethyl-7-propan-2-yl-1,2-dihydronaphthalene
CID 144871822
2,6-di(propan-2-yl)cyclohexa-1,5-dien-1-amine
CID 70666053
2-ethylcycloocta-1,3,5-trien-1-amine
CID 67050807
1-fluoro-2-(2-methylpropyl)cyclohexa-1,3-diene
CID 145449186
2-butan-2-yl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 143473757

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene (CID 145375515) is 2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene is CCSC1=C(C(C)C)CCC=C1.
What is the InChIKey of 2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is HWDLWCUKLHPJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-4-12-11-8-6-5-7-10(11)9(2)3/h6,8-9H,4-5,7H2,1-3H3.
What are the key properties of 2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene?
2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 182.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 145375515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).