(4S)-4-methoxyheptadec-1-yne

C18H34O — CID 11558040

IUPAC(4S)-4-methoxyheptadec-1-yne
SMILESC#CC[C@H](CCCCCCCCCCCCC)OC
InChIInChI=1S/C18H34O/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(19-3)16-5-2/h2,18H,4,6-17H2,1,3H3/t18-/m1/s1
InChIKeyLZMAGCZTQGHIEK-GOSISDBHSA-N
MW266.47 g/mol
LogP5.73
Rot. Bonds14

About (4S)-4-methoxyheptadec-1-yne

(4S)-4-methoxyheptadec-1-yne (PubChem CID 11558040) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is (4S)-4-methoxyheptadec-1-yne.

Molecular Properties

Compound Name(4S)-4-methoxyheptadec-1-yne
PubChem CID11558040
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name(4S)-4-methoxyheptadec-1-yne
SMILESC#CC[C@H](CCCCCCCCCCCCC)OC
InChIInChI=1S/C18H34O/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(19-3)16-5-2/h2,18H,4,6-17H2,1,3H3/t18-/m1/s1
InChIKeyLZMAGCZTQGHIEK-GOSISDBHSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.73
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

(5S)-5-methoxyundecane
CID 118889956
trimethyl(non-1-yn-4-yloxy)silane
CID 10954874
13-prop-2-ynylheptacosane
CID 170549839
6,34-bis(prop-2-ynyl)hentetracontane
CID 123247055
(4S)-4-methoxyundecan-1-ol
CID 53329455
12-methoxyoctadecan-1-ol
CID 18347175
9-methoxypentadecan-2-amine
CID 89335213
4-methoxy-2-methyltridecane
CID 150137637
[(5S)-dec-1-yn-5-yl]oxyphosphane
CID 58581823
4-methylnon-1-yne
CID 20743131
1,1,1-trifluoro-4-methoxytridecane
CID 150822235
6-methoxy-11-(trifluoromethyl)octadecane
CID 152576164

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxyheptadec-1-yne?
The IUPAC name of (4S)-4-methoxyheptadec-1-yne (CID 11558040) is (4S)-4-methoxyheptadec-1-yne.
What is the SMILES notation for (4S)-4-methoxyheptadec-1-yne?
The canonical SMILES for (4S)-4-methoxyheptadec-1-yne is C#CC[C@H](CCCCCCCCCCCCC)OC.
What is the InChIKey of (4S)-4-methoxyheptadec-1-yne?
The InChIKey is LZMAGCZTQGHIEK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H34O/c1-4-6-7-8-9-10-11-12-13-14-15-17-18(19-3)16-5-2/h2,18H,4,6-17H2,1,3H3/t18-/m1/s1.
What are the key properties of (4S)-4-methoxyheptadec-1-yne?
(4S)-4-methoxyheptadec-1-yne has a molecular weight of 266.47 g/mol, XLogP of 5.73, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxyheptadec-1-yne is sourced from PubChem (CID 11558040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).