(4R)-4-methoxyhex-1-en-5-yne

C7H10O — CID 10796716

IUPAC(4R)-4-methoxyhex-1-en-5-yne
SMILESC#C[C@@H](CC=C)OC
InChIInChI=1S/C7H10O/c1-4-6-7(5-2)8-3/h2,4,7H,1,6H2,3H3/t7-/m0/s1
InChIKeyCAPDPUNQCAQZAA-ZETCQYMHSA-N
MW110.16 g/mol
LogP1.21
Rot. Bonds3

About (4R)-4-methoxyhex-1-en-5-yne

(4R)-4-methoxyhex-1-en-5-yne (PubChem CID 10796716) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (4R)-4-methoxyhex-1-en-5-yne.

Molecular Properties

Compound Name(4R)-4-methoxyhex-1-en-5-yne
PubChem CID10796716
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(4R)-4-methoxyhex-1-en-5-yne
SMILESC#C[C@@H](CC=C)OC
InChIInChI=1S/C7H10O/c1-4-6-7(5-2)8-3/h2,4,7H,1,6H2,3H3/t7-/m0/s1
InChIKeyCAPDPUNQCAQZAA-ZETCQYMHSA-N
XLogP1.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-methoxy-3-prop-2-enoxyprop-1-yne
CID 134840075
hex-5-en-1-yn-3-yl N-tert-butylcarbamate
CID 174687513
N,N-dimethylhex-5-en-1-yn-3-amine
CID 45087173
4-chloro-4-methoxybut-1-ene
CID 163540520
3-prop-2-enoxyoct-1-yne
CID 11126647
(3R)-3-methoxypent-4-ynoic acid
CID 10606755
tert-butyl-(2-methoxybut-3-ynoxy)-dimethylsilane
CID 131742760
4-(2-methoxyethyl)hept-1-en-6-yne
CID 71392593
4,5-dimethoxypent-1-ene
CID 73040162
(2R)-1,1-dimethoxypent-4-en-2-ol
CID 102353171
2-methoxypent-4-en-1-ol
CID 90985403
1-cyanobut-3-enyl acetate
CID 73018161

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxyhex-1-en-5-yne?
The IUPAC name of (4R)-4-methoxyhex-1-en-5-yne (CID 10796716) is (4R)-4-methoxyhex-1-en-5-yne.
What is the SMILES notation for (4R)-4-methoxyhex-1-en-5-yne?
The canonical SMILES for (4R)-4-methoxyhex-1-en-5-yne is C#C[C@@H](CC=C)OC.
What is the InChIKey of (4R)-4-methoxyhex-1-en-5-yne?
The InChIKey is CAPDPUNQCAQZAA-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10O/c1-4-6-7(5-2)8-3/h2,4,7H,1,6H2,3H3/t7-/m0/s1.
What are the key properties of (4R)-4-methoxyhex-1-en-5-yne?
(4R)-4-methoxyhex-1-en-5-yne has a molecular weight of 110.16 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxyhex-1-en-5-yne is sourced from PubChem (CID 10796716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).