cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane

C8H12O — CID 642999

IUPACcis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane
SMILESCOCC#C[C@H]1C[C@@H]1C
InChIInChI=1S/C8H12O/c1-7-6-8(7)4-3-5-9-2/h7-8H,5-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyKHEBLYDTESTKRA-YUMQZZPRSA-N
MW124.18 g/mol
LogP1.29
Rot. Bonds1

About cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane

cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane (PubChem CID 642999) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane.

Molecular Properties

Compound Namecis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane
PubChem CID642999
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Namecis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane
SMILESCOCC#C[C@H]1C[C@@H]1C
InChIInChI=1S/C8H12O/c1-7-6-8(7)4-3-5-9-2/h7-8H,5-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyKHEBLYDTESTKRA-YUMQZZPRSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane?
The IUPAC name of cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane (CID 642999) is cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane.
What is the SMILES notation for cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane?
The canonical SMILES for cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane is COCC#C[C@H]1C[C@@H]1C.
What is the InChIKey of cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane?
The InChIKey is KHEBLYDTESTKRA-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H12O/c1-7-6-8(7)4-3-5-9-2/h7-8H,5-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane?
cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane has a molecular weight of 124.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-(3-methoxyprop-1-ynyl)-2-methylcyclopropane is sourced from PubChem (CID 642999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).