12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane

C24H48OS — CID 170688887

IUPAC12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane
SMILESCC(C)OCCCSCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C24H48OS/c1-23(2)25-20-16-22-26-21-15-10-8-6-4-3-5-7-9-12-17-24-18-13-11-14-19-24/h23-24H,3-22H2,1-2H3
InChIKeyCLSHGGUSQZCXCO-UHFFFAOYSA-N
MW384.71 g/mol
LogP8.41
Rot. Bonds18

About 12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane

12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane (PubChem CID 170688887) has the molecular formula C24H48OS and a molecular weight of 384.71 g/mol. Its IUPAC name is 12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane.

Molecular Properties

Compound Name12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane
PubChem CID170688887
Molecular FormulaC24H48OS
Molecular Weight384.71 g/mol
Exact Mass384.34
IUPAC Name12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane
SMILESCC(C)OCCCSCCCCCCCCCCCCC1CCCCC1
InChIInChI=1S/C24H48OS/c1-23(2)25-20-16-22-26-21-15-10-8-6-4-3-5-7-9-12-17-24-18-13-11-14-19-24/h23-24H,3-22H2,1-2H3
InChIKeyCLSHGGUSQZCXCO-UHFFFAOYSA-N
XLogP8.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.71
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxyethylcycloheptane
CID 123201160
cyclohexyl-dimethyl-[12-(2-propan-2-yloxyethylsulfanyl)dodecyl]silane
CID 170688763
4-(1-methoxyethoxy)butylcyclohexane
CID 21363364
2-heptylsulfanylethylcyclohexane
CID 557257
3-(difluoromethoxy)propylcyclohexane
CID 25223055
1-tert-butyl-4-[11-[11-(4-tert-butylcyclohexyl)undecylsulfanyl]undecyl]cyclohexane
CID 141375920
1,1,1,2,2-pentadeuterio-16-(3-propan-2-yloxypropylsulfanyl)hexadecane
CID 170689103
4-cyclopentylbutylcyclohexane
CID 144547696
14-(2-propan-2-yloxyethylsulfanyl)tetradec-1-ynylcyclobutane
CID 170689213
1-methyl-1-[13-(3-propan-2-yloxypropylsulfanyl)tridec-1-ynyl]siletane
CID 170689215
13-methyltetradecylcyclopentane
CID 123698808
N-(2-cyclopentylsulfanylethyl)-3-propan-2-yloxypropan-1-amine
CID 63115886

Frequently Asked Questions

What is the IUPAC name of 12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane?
The IUPAC name of 12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane (CID 170688887) is 12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane.
What is the SMILES notation for 12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane?
The canonical SMILES for 12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane is CC(C)OCCCSCCCCCCCCCCCCC1CCCCC1.
What is the InChIKey of 12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane?
The InChIKey is CLSHGGUSQZCXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48OS/c1-23(2)25-20-16-22-26-21-15-10-8-6-4-3-5-7-9-12-17-24-18-13-11-14-19-24/h23-24H,3-22H2,1-2H3.
What are the key properties of 12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane?
12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane has a molecular weight of 384.71 g/mol, XLogP of 8.41, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-propan-2-yloxypropylsulfanyl)dodecylcyclohexane is sourced from PubChem (CID 170688887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).