cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane

C10H14 — CID 101148448

IUPACcis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane
SMILESC=CCC=C=C[C@H]1C[C@@H]1C
InChIInChI=1S/C10H14/c1-3-4-5-6-7-10-8-9(10)2/h3,5,7,9-10H,1,4,8H2,2H3/t6?,9-,10-/m0/s1
InChIKeyVFMSNLXLMGOCCK-VJCKSVEBSA-N
MW134.22 g/mol
LogP2.93
Rot. Bonds3

About cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane

cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane (PubChem CID 101148448) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane.

Molecular Properties

Compound Namecis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane
PubChem CID101148448
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namecis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane
SMILESC=CCC=C=C[C@H]1C[C@@H]1C
InChIInChI=1S/C10H14/c1-3-4-5-6-7-10-8-9(10)2/h3,5,7,9-10H,1,4,8H2,2H3/t6?,9-,10-/m0/s1
InChIKeyVFMSNLXLMGOCCK-VJCKSVEBSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-propa-1,2-dienylcyclopropane
CID 123896728
1,2,4-tris(ethenyl)-5-methylcyclohexane
CID 91133944
2-ethenyl-4-methylcyclopentan-1-ol
CID 142139319
cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane
CID 16698025
2,3,5-trimethyl-1-prop-2-enylpiperidine
CID 130659291
1,3-bis(ethenyl)-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162270602
2-ethenyl-5-methylcyclohexan-1-ol
CID 58534305
2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
CID 142195089
1,2-dimethylcyclopropane;propane
CID 143337919
2-[(1S,2R)-2-ethenylcyclopropyl]-2-methylpropan-1-ol
CID 102275585
1-ethenyl-3-[2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-1,2,3,3a,4,6a-hexahydropentalene
CID 161165849
1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane
CID 142247047

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane?
The IUPAC name of cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane (CID 101148448) is cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane.
What is the SMILES notation for cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane?
The canonical SMILES for cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane is C=CCC=C=C[C@H]1C[C@@H]1C.
What is the InChIKey of cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane?
The InChIKey is VFMSNLXLMGOCCK-VJCKSVEBSA-N. The full InChI is InChI=1S/C10H14/c1-3-4-5-6-7-10-8-9(10)2/h3,5,7,9-10H,1,4,8H2,2H3/t6?,9-,10-/m0/s1.
What are the key properties of cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane?
cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane has a molecular weight of 134.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane is sourced from PubChem (CID 101148448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).