cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane

C20H36 — CID 11119363

IUPACcis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane
SMILESC#CCCCCC[C@@H]1C[C@@H]1CCCCCCCCCC
InChIInChI=1S/C20H36/c1-3-5-7-9-10-11-13-15-17-20-18-19(20)16-14-12-8-6-4-2/h2,19-20H,3,5-18H2,1H3/t19-,20+/m1/s1
InChIKeyRNBLORUTBHCPEA-UXHICEINSA-N
MW276.51 g/mol
LogP6.74
Rot. Bonds14

About cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane

cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane (PubChem CID 11119363) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane.

Molecular Properties

Compound Namecis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane
PubChem CID11119363
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Namecis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane
SMILESC#CCCCCC[C@@H]1C[C@@H]1CCCCCCCCCC
InChIInChI=1S/C20H36/c1-3-5-7-9-10-11-13-15-17-20-18-19(20)16-14-12-8-6-4-2/h2,19-20H,3,5-18H2,1H3/t19-,20+/m1/s1
InChIKeyRNBLORUTBHCPEA-UXHICEINSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
oct-1-yne
CID 19597608
1-propyl-2-undecylcyclopropane
CID 123636027
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
CID 172706336
CID 172706336
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
8-(4-heptyl-2,5-dioctylcyclohexyl)octan-1-amine
CID 174176703
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane?
The IUPAC name of cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane (CID 11119363) is cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane.
What is the SMILES notation for cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane?
The canonical SMILES for cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane is C#CCCCCC[C@@H]1C[C@@H]1CCCCCCCCCC.
What is the InChIKey of cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane?
The InChIKey is RNBLORUTBHCPEA-UXHICEINSA-N. The full InChI is InChI=1S/C20H36/c1-3-5-7-9-10-11-13-15-17-20-18-19(20)16-14-12-8-6-4-2/h2,19-20H,3,5-18H2,1H3/t19-,20+/m1/s1.
What are the key properties of cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane?
cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane has a molecular weight of 276.51 g/mol, XLogP of 6.74, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane is sourced from PubChem (CID 11119363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).