5-(2-methylpropylsulfanyl)pent-1-ene

C9H18S — CID 130683764

IUPAC5-(2-methylpropylsulfanyl)pent-1-ene
SMILESC=CCCCSCC(C)C
InChIInChI=1S/C9H18S/c1-4-5-6-7-10-8-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyKIHMSTHZQBYQPY-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.34
Rot. Bonds6

About 5-(2-methylpropylsulfanyl)pent-1-ene

5-(2-methylpropylsulfanyl)pent-1-ene (PubChem CID 130683764) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 5-(2-methylpropylsulfanyl)pent-1-ene.

Molecular Properties

Compound Name5-(2-methylpropylsulfanyl)pent-1-ene
PubChem CID130683764
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name5-(2-methylpropylsulfanyl)pent-1-ene
SMILESC=CCCCSCC(C)C
InChIInChI=1S/C9H18S/c1-4-5-6-7-10-8-9(2)3/h4,9H,1,5-8H2,2-3H3
InChIKeyKIHMSTHZQBYQPY-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(3-ethylsulfanylpropylsulfanyl)pent-1-ene
CID 11820260
N-methyl-1-(2-methylpropylsulfanyl)hept-6-en-2-amine
CID 65135738
1-(3-bromopropylsulfanyl)-2-methylpropane
CID 43445829
methyl 3-hept-6-enylsulfanyl-2-methylpropanoate
CID 107005995
4-(2-methylpropylsulfanyl)butane-1-thiol
CID 57461880
5-but-2-ynylsulfanylpent-1-ene
CID 130642386
6-propylsulfanylhex-1-ene
CID 23466654
4-(3-but-3-enylsulfanylpropylsulfanyl)but-1-ene
CID 59551659
5,5-dimethyl-1-(2-methylpropylsulfanyl)hexane
CID 138647209
7-propan-2-ylsulfanylhept-1-ene
CID 23466756
26-methylheptacos-1-ene
CID 154926473
25-methylhexacos-1-ene
CID 141407501

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylsulfanyl)pent-1-ene?
The IUPAC name of 5-(2-methylpropylsulfanyl)pent-1-ene (CID 130683764) is 5-(2-methylpropylsulfanyl)pent-1-ene.
What is the SMILES notation for 5-(2-methylpropylsulfanyl)pent-1-ene?
The canonical SMILES for 5-(2-methylpropylsulfanyl)pent-1-ene is C=CCCCSCC(C)C.
What is the InChIKey of 5-(2-methylpropylsulfanyl)pent-1-ene?
The InChIKey is KIHMSTHZQBYQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S/c1-4-5-6-7-10-8-9(2)3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 5-(2-methylpropylsulfanyl)pent-1-ene?
5-(2-methylpropylsulfanyl)pent-1-ene has a molecular weight of 158.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylsulfanyl)pent-1-ene is sourced from PubChem (CID 130683764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).