1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane

C10H18S — CID 91410697

IUPAC1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane
SMILESC=C1CC(SC)CC1C(C)C
InChIInChI=1S/C10H18S/c1-7(2)10-6-9(11-4)5-8(10)3/h7,9-10H,3,5-6H2,1-2,4H3
InChIKeyHNRRNDHNZKRBPW-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.34
Rot. Bonds2

About 1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane

1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane (PubChem CID 91410697) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane
PubChem CID91410697
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane
SMILESC=C1CC(SC)CC1C(C)C
InChIInChI=1S/C10H18S/c1-7(2)10-6-9(11-4)5-8(10)3/h7,9-10H,3,5-6H2,1-2,4H3
InChIKeyHNRRNDHNZKRBPW-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 58778257
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CID 59202117
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CID 89305724
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CID 90755630
CID 90755630
CID 123273987
CID 123273987
CID 123754800
CID 123754800
CID 123978996
CID 123978996
CID 129131607
CID 129131607
CID 130374618
CID 130374618
CID 130415461
CID 130415461
CID 130432201
CID 130432201
CID 132186990
CID 132186990

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane?
The IUPAC name of 1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane (CID 91410697) is 1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane.
What is the SMILES notation for 1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane?
The canonical SMILES for 1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane is C=C1CC(SC)CC1C(C)C.
What is the InChIKey of 1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane?
The InChIKey is HNRRNDHNZKRBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-7(2)10-6-9(11-4)5-8(10)3/h7,9-10H,3,5-6H2,1-2,4H3.
What are the key properties of 1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane?
1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane has a molecular weight of 170.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-methylsulfanyl-2-propan-2-ylcyclopentane is sourced from PubChem (CID 91410697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).