(1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol

C18H32O — CID 138980510

IUPAC(1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol
SMILESC#C[C@H](O)[C@@H]1C[C@H]1CCCCCCCCCCCC
InChIInChI=1S/C18H32O/c1-3-5-6-7-8-9-10-11-12-13-14-16-15-17(16)18(19)4-2/h2,16-19H,3,5-15H2,1H3/t16-,17-,18+/m1/s1
InChIKeyBGYIGCJXWSQZMY-KURKYZTESA-N
MW264.45 g/mol
LogP4.93
Rot. Bonds12

About (1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol

(1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol (PubChem CID 138980510) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol
PubChem CID138980510
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol
SMILESC#C[C@H](O)[C@@H]1C[C@H]1CCCCCCCCCCCC
InChIInChI=1S/C18H32O/c1-3-5-6-7-8-9-10-11-12-13-14-16-15-17(16)18(19)4-2/h2,16-19H,3,5-15H2,1H3/t16-,17-,18+/m1/s1
InChIKeyBGYIGCJXWSQZMY-KURKYZTESA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
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-octylcyclopropyl)methanediol
CID 165392128
cis-(1S,2R)-1-decyl-2-hept-6-ynylcyclopropane
CID 11119363
1-nonan-3-yl-2-pentylcyclopropane
CID 20771222
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
(1R)-1-[(4R,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-yn-1-ol
CID 53230771
[(1R,2S)-2-butylcyclopropyl]-trimethylsilylmethanol
CID 139829557
1-propyl-2-undecylcyclopropane
CID 123636027
1-methyl-2-pentadecylcyclopropane
CID 54385825
[(1S,2S)-2-octylcyclopropyl]methanol
CID 121360287
2-[(1S,2S)-2-hexylcyclopropyl]ethanol
CID 71388478
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol?
The IUPAC name of (1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol (CID 138980510) is (1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol.
What is the SMILES notation for (1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol?
The canonical SMILES for (1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol is C#C[C@H](O)[C@@H]1C[C@H]1CCCCCCCCCCCC.
What is the InChIKey of (1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol?
The InChIKey is BGYIGCJXWSQZMY-KURKYZTESA-N. The full InChI is InChI=1S/C18H32O/c1-3-5-6-7-8-9-10-11-12-13-14-16-15-17(16)18(19)4-2/h2,16-19H,3,5-15H2,1H3/t16-,17-,18+/m1/s1.
What are the key properties of (1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol?
(1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol has a molecular weight of 264.45 g/mol, XLogP of 4.93, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R,2R)-2-dodecylcyclopropyl]prop-2-yn-1-ol is sourced from PubChem (CID 138980510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).