cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane

C15H26O — CID 15441434

IUPACcis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane
SMILESCCCCC#C[C@H]1CCCC[C@@H]1OCCC
InChIInChI=1S/C15H26O/c1-3-5-6-7-10-14-11-8-9-12-15(14)16-13-4-2/h14-15H,3-6,8-9,11-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyAJIWOXQLVBKDTJ-GJZGRUSLSA-N
MW222.37 g/mol
LogP4.17
Rot. Bonds5

About cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane

cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane (PubChem CID 15441434) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane.

Molecular Properties

Compound Namecis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane
PubChem CID15441434
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Namecis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane
SMILESCCCCC#C[C@H]1CCCC[C@@H]1OCCC
InChIInChI=1S/C15H26O/c1-3-5-6-7-10-14-11-8-9-12-15(14)16-13-4-2/h14-15H,3-6,8-9,11-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyAJIWOXQLVBKDTJ-GJZGRUSLSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-propoxycyclohexane-1-carbonitrile
CID 43292927
1,2-dibutoxycyclohexane
CID 24962665
2-butoxycyclohexan-1-amine
CID 43267617
cis-(1R,2S)-1-ethoxy-2-prop-1-ynylcyclohexane
CID 100979947
2-octoxycyclohexan-1-amine
CID 43127889
2-[(1R,2R)-2-hex-1-ynylcyclohexyl]isoindole-1,3-dione
CID 10733693
methyl 2-hex-1-ynyl-6-oxocyclohexane-1-carboxylate
CID 102028935
2-hexoxycyclododecan-1-amine
CID 43127854
dodec-1-ynylcycloheptane
CID 11579803
2-pent-1-ynylcyclohexan-1-ol
CID 102275152
3-hex-1-ynyl-2-phenylcyclohexan-1-one
CID 72778560
1-propoxy-2-(trifluoromethyl)cyclohexane
CID 162596564

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane?
The IUPAC name of cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane (CID 15441434) is cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane.
What is the SMILES notation for cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane?
The canonical SMILES for cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane is CCCCC#C[C@H]1CCCC[C@@H]1OCCC.
What is the InChIKey of cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane?
The InChIKey is AJIWOXQLVBKDTJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H26O/c1-3-5-6-7-10-14-11-8-9-12-15(14)16-13-4-2/h14-15H,3-6,8-9,11-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane?
cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane has a molecular weight of 222.37 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-hex-1-ynyl-2-propoxycyclohexane is sourced from PubChem (CID 15441434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).