1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol

C16H20OS — CID 13171783

IUPAC1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol
SMILESCC(C)=C=C(Sc1ccccc1)C1(O)CCCC1
InChIInChI=1S/C16H20OS/c1-13(2)12-15(16(17)10-6-7-11-16)18-14-8-4-3-5-9-14/h3-5,8-9,17H,6-7,10-11H2,1-2H3
InChIKeySHAKRTBGKRHCOR-UHFFFAOYSA-N
MW260.40 g/mol
LogP4.53
Rot. Bonds3

About 1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol

1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol (PubChem CID 13171783) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is 1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol
PubChem CID13171783
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol
SMILESCC(C)=C=C(Sc1ccccc1)C1(O)CCCC1
InChIInChI=1S/C16H20OS/c1-13(2)12-15(16(17)10-6-7-11-16)18-14-8-4-3-5-9-14/h3-5,8-9,17H,6-7,10-11H2,1-2H3
InChIKeySHAKRTBGKRHCOR-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol
CID 373327
3,7-Dimethyl-5-(phenylthio)octa-1,6-dien-3-ol
CID 551454
1-[(E)-2-phenylsulfanylethenyl]cyclohexan-1-ol
CID 11020834
2-Methyl-3-phenylsulfanylheptan-2-ol
CID 11160765
1-(1-Phenylsulfanylethenyl)cyclopentan-1-ol
CID 15668801
5-(Benzenesulfonyl)-3,7-dimethylocta-1,6-dien-3-ol
CID 131854697
4-Ethyl-2-(4-methylphenyl)sulfanyl-3-(trifluoromethyl)hex-1-en-3-ol
CID 140133387
Cyclopentanol, 1-[2-(phenylthio)ethyl]-
CID 10878759
(1E,3S)-3,7-dimethyl-1-phenylsulfanylocta-1,6-dien-3-ol
CID 11086581
5-[(Z)-1-bromo-2-phenylsulfanylethenyl]nonan-5-ol
CID 11279764
6-Methyl-6-phenylsulfanylhept-1-en-3-ol
CID 11345390
5-Methyl-5-phenylsulfanylhex-1-en-3-ol
CID 11368054

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol?
The IUPAC name of 1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol (CID 13171783) is 1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol?
The canonical SMILES for 1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol is CC(C)=C=C(Sc1ccccc1)C1(O)CCCC1.
What is the InChIKey of 1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol?
The InChIKey is SHAKRTBGKRHCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20OS/c1-13(2)12-15(16(17)10-6-7-11-16)18-14-8-4-3-5-9-14/h3-5,8-9,17H,6-7,10-11H2,1-2H3.
What are the key properties of 1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol?
1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol has a molecular weight of 260.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)cyclopentan-1-ol is sourced from PubChem (CID 13171783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).