(3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane

C10H18OS — CID 174254253

IUPAC(3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane
SMILESCOC1CC[C@H](/C=C/CSC)C1
InChIInChI=1S/C10H18OS/c1-11-10-6-5-9(8-10)4-3-7-12-2/h3-4,9-10H,5-8H2,1-2H3/b4-3+/t9-,10?/m0/s1
InChIKeyBYLNGFQFIXEBSL-XYJHLHRLSA-N
MW186.32 g/mol
LogP2.72
Rot. Bonds4

About (3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane

(3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane (PubChem CID 174254253) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane.

Molecular Properties

Compound Name(3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane
PubChem CID174254253
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane
SMILESCOC1CC[C@H](/C=C/CSC)C1
InChIInChI=1S/C10H18OS/c1-11-10-6-5-9(8-10)4-3-7-12-2/h3-4,9-10H,5-8H2,1-2H3/b4-3+/t9-,10?/m0/s1
InChIKeyBYLNGFQFIXEBSL-XYJHLHRLSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-1-enyl]-4-methoxycyclohexane
CID 149274595
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
4-[(E)-4-(4-methoxycyclohexyl)but-3-enyl]cyclohexan-1-one
CID 19070144
propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031
1,2,4-trimethoxycyclohexane
CID 547386
trans-(1S,3S)-3-methoxycyclopentan-1-ol
CID 97049174
trans-(1R,3R)-3-methoxycyclopentan-1-amine;hydrochloride
CID 118523425
ethane-1,2-diol;methoxycyclopropane
CID 174681664
methyl (E)-4-[3-[(E)-but-1-enyl]cyclopentyl]but-3-enoate
CID 153475100
1,3,5-trimethoxycyclohexane
CID 547415
(4-methoxycyclohexyl) 3-cyclopropylprop-2-enoate
CID 126802670
4-methoxy-2-methylcyclohexan-1-amine
CID 147825198

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane?
The IUPAC name of (3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane (CID 174254253) is (3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane.
What is the SMILES notation for (3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane?
The canonical SMILES for (3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane is COC1CC[C@H](/C=C/CSC)C1.
What is the InChIKey of (3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane?
The InChIKey is BYLNGFQFIXEBSL-XYJHLHRLSA-N. The full InChI is InChI=1S/C10H18OS/c1-11-10-6-5-9(8-10)4-3-7-12-2/h3-4,9-10H,5-8H2,1-2H3/b4-3+/t9-,10?/m0/s1.
What are the key properties of (3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane?
(3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane has a molecular weight of 186.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methoxy-3-[(E)-3-methylsulfanylprop-1-enyl]cyclopentane is sourced from PubChem (CID 174254253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).