(1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol

C11H16O — CID 14571586

IUPAC(1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol
SMILESCCCCC#C[C@H]1C=CC[C@H]1O
InChIInChI=1S/C11H16O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h6,8,10-12H,2-4,9H2,1H3/t10-,11+/m0/s1
InChIKeyRYRUUQYEVIODRM-WDEREUQCSA-N
MW164.25 g/mol
LogP2.12
Rot. Bonds2

About (1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol

(1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol (PubChem CID 14571586) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol
PubChem CID14571586
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol
SMILESCCCCC#C[C@H]1C=CC[C@H]1O
InChIInChI=1S/C11H16O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h6,8,10-12H,2-4,9H2,1H3/t10-,11+/m0/s1
InChIKeyRYRUUQYEVIODRM-WDEREUQCSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran
CID 100981830
2-hex-1-ynyloxirane
CID 13226363
pentadeca-5,10-diyne
CID 15530767
trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol
CID 12791819
(Hex-1-yn-1-yl)silane
CID 13112953
(4R,6S)-6-hept-1-ynyl-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 134977923
3-decylcyclobutene
CID 174421846
(4S,5R)-5-hept-2-ynyl-4-hydroxycyclopent-2-en-1-one
CID 130917813
tetradeca-4,9-diyne
CID 173328648
2-pent-1-ynylcyclohexan-1-ol
CID 102275152
dodec-1-ynylcycloheptane
CID 11579803
1,1-dibutyl-4H-stannin-4-ol
CID 71441295

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol?
The IUPAC name of (1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol (CID 14571586) is (1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol.
What is the SMILES notation for (1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol?
The canonical SMILES for (1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol is CCCCC#C[C@H]1C=CC[C@H]1O.
What is the InChIKey of (1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol?
The InChIKey is RYRUUQYEVIODRM-WDEREUQCSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-5-7-10-8-6-9-11(10)12/h6,8,10-12H,2-4,9H2,1H3/t10-,11+/m0/s1.
What are the key properties of (1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol?
(1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol has a molecular weight of 164.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol is sourced from PubChem (CID 14571586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).