(4-pentylcyclohexyl)methoxysulfanylbenzene

C18H28OS — CID 19993165

IUPAC(4-pentylcyclohexyl)methoxysulfanylbenzene
SMILESCCCCCC1CCC(COSc2ccccc2)CC1
InChIInChI=1S/C18H28OS/c1-2-3-5-8-16-11-13-17(14-12-16)15-19-20-18-9-6-4-7-10-18/h4,6-7,9-10,16-17H,2-3,5,8,11-15H2,1H3
InChIKeySFABULUNODNBAY-UHFFFAOYSA-N
MW292.49 g/mol
LogP6.10
Rot. Bonds8

About (4-pentylcyclohexyl)methoxysulfanylbenzene

(4-pentylcyclohexyl)methoxysulfanylbenzene (PubChem CID 19993165) has the molecular formula C18H28OS and a molecular weight of 292.49 g/mol. Its IUPAC name is (4-pentylcyclohexyl)methoxysulfanylbenzene.

Molecular Properties

Compound Name(4-pentylcyclohexyl)methoxysulfanylbenzene
PubChem CID19993165
Molecular FormulaC18H28OS
Molecular Weight292.49 g/mol
Exact Mass292.19
IUPAC Name(4-pentylcyclohexyl)methoxysulfanylbenzene
SMILESCCCCCC1CCC(COSc2ccccc2)CC1
InChIInChI=1S/C18H28OS/c1-2-3-5-8-16-11-13-17(14-12-16)15-19-20-18-9-6-4-7-10-18/h4,6-7,9-10,16-17H,2-3,5,8,11-15H2,1H3
InChIKeySFABULUNODNBAY-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.49
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-butylcyclohexyl)methoxysulfanylbenzene
CID 19992943
1-(4-pentylcyclohexyl)-4-(phenylsulfanyloxymethyl)benzene;pentahydrofluoride
CID 67939407
(4-hexylcyclohexyl)methoxybenzene
CID 57019623
pentoxysulfanylbenzene
CID 10921472
2-(4-heptylcyclohexyl)ethynylsulfanylbenzene;pentahydrofluoride
CID 67939357
hexane;pentylcyclopropane
CID 159592467
1,2,3,4,5,6-hexakis[(4-octylcyclohexyl)methoxy]benzene
CID 19870097
[1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]butyl]sulfanylbenzene
CID 101049660
[(1S,2R)-1,2-difluoro-2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]sulfanylbenzene
CID 101049674
1-(4-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
1-bromo-2-(4-pentylcyclohexyl)benzene
CID 68659349
4-(4-pentylcyclohexyl)butan-2-yloxybenzene
CID 70114949

Frequently Asked Questions

What is the IUPAC name of (4-pentylcyclohexyl)methoxysulfanylbenzene?
The IUPAC name of (4-pentylcyclohexyl)methoxysulfanylbenzene (CID 19993165) is (4-pentylcyclohexyl)methoxysulfanylbenzene.
What is the SMILES notation for (4-pentylcyclohexyl)methoxysulfanylbenzene?
The canonical SMILES for (4-pentylcyclohexyl)methoxysulfanylbenzene is CCCCCC1CCC(COSc2ccccc2)CC1.
What is the InChIKey of (4-pentylcyclohexyl)methoxysulfanylbenzene?
The InChIKey is SFABULUNODNBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OS/c1-2-3-5-8-16-11-13-17(14-12-16)15-19-20-18-9-6-4-7-10-18/h4,6-7,9-10,16-17H,2-3,5,8,11-15H2,1H3.
What are the key properties of (4-pentylcyclohexyl)methoxysulfanylbenzene?
(4-pentylcyclohexyl)methoxysulfanylbenzene has a molecular weight of 292.49 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentylcyclohexyl)methoxysulfanylbenzene is sourced from PubChem (CID 19993165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).