(2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane

C14H26S — CID 155281274

IUPAC(2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane
SMILESC=CCC(C)C(CC(C)CC1CC1)SC
InChIInChI=1S/C14H26S/c1-5-6-12(3)14(15-4)10-11(2)9-13-7-8-13/h5,11-14H,1,6-10H2,2-4H3
InChIKeyOBEFXAMGACKWCG-UHFFFAOYSA-N
MW226.43 g/mol
LogP4.76
Rot. Bonds8

About (2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane

(2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane (PubChem CID 155281274) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is (2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane.

Molecular Properties

Compound Name(2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane
PubChem CID155281274
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name(2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane
SMILESC=CCC(C)C(CC(C)CC1CC1)SC
InChIInChI=1S/C14H26S/c1-5-6-12(3)14(15-4)10-11(2)9-13-7-8-13/h5,11-14H,1,6-10H2,2-4H3
InChIKeyOBEFXAMGACKWCG-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.43
LogP ≤ 54.76
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

1,2-Epithio-2-hexyl-3-butene
CID 57702333
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
3-Ethenyloctane-1-thiol
CID 12400865
1-Hex-5-enylsulfanyl-6-methylheptane
CID 23466487
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
2-Prop-2-enyl-4-propylthiane
CID 54285710
2-Butyl-3-propyl-2,3-dihydrothiophene
CID 57001396
2,3-Dipropyl-2,3-dihydrothiophene
CID 57085985
2-(Cyclopropylmethyl)-2,3-dihydrothiophene
CID 57301880
(Z)-6-methyl-1-(2-methylpropylsulfanyl)hept-1-ene
CID 57892134
(7Z)-2,3-dimethyl-3,4,5,6-tetrahydro-2H-thiocine
CID 58293733

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane?
The IUPAC name of (2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane (CID 155281274) is (2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane.
What is the SMILES notation for (2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane?
The canonical SMILES for (2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane is C=CCC(C)C(CC(C)CC1CC1)SC.
What is the InChIKey of (2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane?
The InChIKey is OBEFXAMGACKWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-5-6-12(3)14(15-4)10-11(2)9-13-7-8-13/h5,11-14H,1,6-10H2,2-4H3.
What are the key properties of (2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane?
(2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane has a molecular weight of 226.43 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-4-methylsulfanyloct-7-enyl)cyclopropane is sourced from PubChem (CID 155281274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).