(3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne

C13H24O2 — CID 15416757

IUPAC(3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne
SMILESC#C[C@@H](C(C)C)[C@@H](CCCC)OCOC
InChIInChI=1S/C13H24O2/c1-6-8-9-13(15-10-14-5)12(7-2)11(3)4/h2,11-13H,6,8-10H2,1,3-5H3/t12-,13+/m0/s1
InChIKeyCFYXLUJXOCKKQV-QWHCGFSZSA-N
MW212.33 g/mol
LogP3.07
Rot. Bonds8

About (3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne

(3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne (PubChem CID 15416757) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne.

Molecular Properties

Compound Name(3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne
PubChem CID15416757
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne
SMILESC#C[C@@H](C(C)C)[C@@H](CCCC)OCOC
InChIInChI=1S/C13H24O2/c1-6-8-9-13(15-10-14-5)12(7-2)11(3)4/h2,11-13H,6,8-10H2,1,3-5H3/t12-,13+/m0/s1
InChIKeyCFYXLUJXOCKKQV-QWHCGFSZSA-N
XLogP3.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
CID 102259146
(5S,6S)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
CID 11832053
3-(methoxymethoxy)-2-methylpentane
CID 21050072
(4R)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene
CID 11746813
(3S)-3-ethoxy-2-methylheptane
CID 3086090
2-(methoxymethoxy)nonane
CID 13203850
4-methyl-3-propan-2-ylhex-1-yne
CID 153404672
(6R,7R)-6,7-bis(methoxymethoxy)nonan-2-ol
CID 72737093
2-(methoxymethoxy)pentanenitrile
CID 87931791
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-yn-4-ol
CID 11184860
2-hex-5-ynoxyhexane
CID 54235991
(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane
CID 15652078

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne?
The IUPAC name of (3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne (CID 15416757) is (3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne.
What is the SMILES notation for (3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne?
The canonical SMILES for (3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne is C#C[C@@H](C(C)C)[C@@H](CCCC)OCOC.
What is the InChIKey of (3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne?
The InChIKey is CFYXLUJXOCKKQV-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-8-9-13(15-10-14-5)12(7-2)11(3)4/h2,11-13H,6,8-10H2,1,3-5H3/t12-,13+/m0/s1.
What are the key properties of (3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne?
(3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne has a molecular weight of 212.33 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(methoxymethoxy)-3-propan-2-yloct-1-yne is sourced from PubChem (CID 15416757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).